*HEADER   ANTIBIOTIC BIOSYNTHESIS                 23-MAR-97   1AF8    
*TITLE    ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN FROM  
*TITLE   2 STREPTOMYCES COELICOLOR A3(2), NMR, 24 STRUCTURES          
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER    
*COMPND  3 PROTEIN;                                                   
*COMPND  4 CHAIN: NULL;                                               
*COMPND  5 SYNONYM: ACT ACP, ACTI ORF3;                               
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;              
*SOURCE  3 ORGANISM_COMMON: BACTERIA;                                 
*SOURCE  4 STRAIN: A3(2);                                             
*SOURCE  5 PLASMID: T7;                                               
*SOURCE  6 GENE: ACTINORHODIN ACYL CARRIER PROTEIN;                   
*SOURCE  7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  8 EXPRESSION_SYSTEM_STRAIN: K38;                             
*SOURCE  9 EXPRESSION_SYSTEM_VECTOR_TYPE: VIRUS;                      
*SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PT7-7;                           
*SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PGP1-2                          
*KEYWDS   POLYKETIDE, ACYL CARRIER PROTEIN, STREPTOMYCES, SOLUTION    
*KEYWDS  2 STRUCTURE, NMR STRUCTURE, ANTIBIOTIC BIOSYNTHESIS          
*EXPDTA   NMR, 24 STRUCTURES                                          
*AUTHOR   M.P.CRUMP,J.CROSBY,C.E.DEMPSEY,J.A.PARKINSON,M.MURRAY,      
*AUTHOR  2 D.A.HOPWOOD,T.J.SIMPSON                                    
*REVDAT  1   26-SEP-97 1AF8    0                                      
 
! NOE RESTRAINTS
clas long
! Aromatic Rings
! Phe 30 (HZ)
assign (resid   30 and name HZ   )(resid   11 and name HN   ) 5.0 3.2 1.0
assign (resid   30 and name HZ   )(resid   11 and name HA   ) 5.0 3.2 1.0
assign (resid   30 and name HZ   )(resid   11 and name HB*  ) 5.0 3.2 1.5
assign (resid   30 and name HZ   )(resid   11 and name HG*  ) 5.0 3.2 1.5
! Phe 35 (HZ)
assign (resid   35 and name HZ   )(resid   14 and name HD1* ) 3.3 1.5 1.0 
assign (resid   35 and name HZ   )(resid   14 and name HD2* ) 3.3 1.5 1.0 
assign (resid   35 and name HZ   )(resid   45 and name HD1* ) 4.0 2.7 1.0
assign (resid   35 and name HZ   )(resid   45 and name HD2* ) 4.0 2.7 1.0 
assign (resid   35 and name HZ   )(resid   68 and name HG1* ) 3.3 1.5 1.0 
assign (resid   35 and name HZ   )(resid   68 and name HG2* ) 4.0 2.2 1.0
assign (resid   35 and name HZ   )(resid   71 and name HA   ) 3.3 1.5 0.5
assign (resid   35 and name HZ   )(resid   74 and name HB*  ) 3.3 1.5 1.0
assign (resid   35 and name HZ   )(resid   74 and name HD1* ) 3.3 1.5 1.0
! Leu5 
assign (resid    5 and name HD*  )(resid   75 and name HA   ) 3.3 1.5 2.5
! Thr7 NH
assign (resid    7 and name HN   )(resid   75 and name HD1* ) 4.0 2.2 0.5 
assign (resid    7 and name HN   )(resid   75 and name HD2* ) 4.0 2.2 0.5 
! Leu10 NH
assign (resid   10 and name HN   )(resid   75 and name HD2* ) 5.0 3.2 0.5 
assign (resid   10 and name HN   )(resid   75 and name HD1* ) 3.3 1.5 1.0
! Arg72 
assign (resid   72 and name HN   )(resid   31 and name HD1* ) 5.0 5.0 0.5 
assign (resid   72 and name HN   )(resid   31 and name HD2* ) 3.3 1.5 0.5
assign (resid   72 and name HN   )(resid   31 and name HB*  ) 4.0 4.0 1.5
assign (resid   72 and name HN   )(resid   31 and name HA   ) 3.5 1.7 0.5 
assign (resid   72 and name HH1* )(resid   31 and name HD1* ) 5.0 3.2 1.0
assign (resid   72 and name HH2* )(resid   31 and name HD2* ) 5.0 3.2 1.0
assign (resid   72 and name HE   )(resid   31 and name HD1* ) 4.0 2.2 1.0
! Leu 75 NH
assign (resid   75 and name HN   )(resid   10 and name HD1* ) 4.0 2.2 1.0
assign (resid   75 and name HN   )(resid   10 and name HD2* ) 4.0 2.2 1.0 
! Ser59 NH
assign (resid   59 and name HN   )(resid   81 and name HB*  ) 4.0 2.2 1.0
! Leu 26 HD*
assign (resid   26 and name HD1* )(resid   30 and name HB1  ) 3.3 1.5 1.0
assign (resid   26 and name HD1* )(resid   30 and name HB2  ) 3.5 1.5 1.0
! Leu 31 HD*
assign (resid   31 and name HD1* )(resid   72 and name HA   ) 5.0 3.2 1.0 
assign (resid   31 and name HD1* )(resid   72 and name HD*  ) 4.0 2.2 1.0
assign (resid   31 and name HD2* )(resid   72 and name HA   ) 3.3 1.5 1.0 
assign (resid   31 and name HD2* )(resid   72 and name HB*  ) 4.0 2.2 1.0
assign (resid   31 and name HD1* )(resid    7 and name HG*  ) 3.3 1.5 1.5
assign (resid   31 and name HD2* )(resid    7 and name HG*  ) 3.3 1.5 1.5
assign (resid   31 and name HD2* )(resid   10 and name HG   ) 5.0 3.2 1.0
assign (resid   31 and name HD2* )(resid   75 and name HB*  ) 5.0 3.2 2.0
assign (resid   31 and name HD2* )(resid   75 and name HD2* ) 5.0 3.2 2.0 
! Leu 45 HD*
assign (resid   45 and name HD1* )(resid   74 and name HD*   ) 4.0 2.2 2.5
assign (resid   45 and name HD2* )(resid   74 and name HD*   ) 4.0 2.2 2.5
! Val 68 HG*
assign (resid   68 and name HG1*  )(resid   45 and name HD1* ) 3.3 1.5 0.5
assign (resid   68 and name HG1*  )(resid   45 and name HD2* ) 3.3 1.5 0.5 
assign (resid   68 and name HG2*  )(resid   45 and name HD1* ) 5.0 3.2 0.5
assign (resid   68 and name HG2*  )(resid   45 and name HD2* ) 5.0 3.2 0.5
assign (resid   68 and name HG1*  )(resid   74 and name HB*  ) 4.0 2.2 1.5
assign (resid   68 and name HG2*  )(resid   74 and name HB*  ) 4.0 2.2 1.5
! Asn 79 NH*
assign (resid    5 and name HN   )(resid   79 and name HD21 ) 5.0 3.2 0.5 
assign (resid    5 and name HN   )(resid   79 and name HD22 ) 3.3 1.5 0.5
! Ile 78 
assign (resid    78 and name HA  )(resid   58 and name HG1* ) 4.0 2.2 0.5
clas average
assign (resid   30 and name HD*  )(resid   10 and name HD1* ) 5.0 3.2 1.0
assign (resid   30 and name HD*  )(resid   10 and name HD2* ) 5.0 3.2 1.0
assign (resid   30 and name HD*  )(resid   24 and name HG2* ) 5.0 3.2 1.5
assign (resid   30 and name HE*  )(resid   10 and name HD1* ) 3.3 1.5 1.0
assign (resid   30 and name HE*  )(resid   10 and name HD2* ) 3.3 1.5 1.0
assign (resid   30 and name HE*  )(resid   11 and name HN   ) 5.0 3.2 1.5
assign (resid   35 and name HE*  )(resid   68 and name HG1* ) 3.3 1.5 0.5
assign (resid   35 and name HE*  )(resid   68 and name HG2* ) 4.0 2.2 0.5 
assign (resid   35 and name HD*  )(resid   69 and name HA   ) 4.0 2.2 0.5 
assign (resid   35 and name HD*  )(resid   71 and name HA   ) 3.3 1.5 1.0 
assign (resid   35 and name HD*  )(resid   40 and name HB2  ) 3.3 1.5 1.0 
assign (resid   35 and name HD*  )(resid   40 and name HB1  ) 3.3 1.5 1.0 
assign (resid   35 and name HD*  )(resid   45 and name HD1* ) 3.3 1.5 1.0 
assign (resid   35 and name HD*  )(resid   45 and name HD2* ) 3.3 1.5 1.0 
assign (resid   35 and name HE*  )(resid   14 and name HD1* ) 3.3 1.5 1.0 
assign (resid   35 and name HE*  )(resid   14 and name HD2* ) 3.3 1.5 1.0 
assign (resid   35 and name HE*  )(resid   45 and name HD1* ) 3.3 1.5 1.0 
assign (resid   35 and name HE*  )(resid   45 and name HD2* ) 3.3 1.5 1.0
assign (resid   35 and name HE*  )(resid   74 and name HB*  ) 4.0 2.2 1.0
assign (resid   35 and name HE*  )(resid   74 and name HD*  ) 4.0 2.2 2.5 
assign (resid   40 and name HD*  )(resid   45 and name HD1* ) 5.0 3.2 1.0
assign (resid   40 and name HD*  )(resid   45 and name HD2* ) 4.0 2.2 1.0
assign (resid   40 and name HE*  )(resid   45 and name HA   ) 5.0 3.2 1.0
assign (resid   40 and name HE*  )(resid   14 and name HD2* ) 4.0 2.2 1.0
assign (resid   52 and name HD*  )(resid   56 and name HD*  ) 4.0 2.2 2.5
assign (resid   52 and name HD*  )(resid   56 and name HE*  ) 4.0 2.2 2.5
assign (resid   56 and name HE*  )(resid    5 and name HD1* ) 3.3 1.5 1.0
assign (resid   56 and name HE*  )(resid    5 and name HD2* ) 3.3 1.5 1.0
assign (resid   56 and name HD*  )(resid    5 and name HD2* ) 4.0 2.2 1.0 
assign (resid   56 and name HD*  )(resid    5 and name HD1* ) 4.0 2.2 1.0 
assign (resid   56 and name HD*  )(resid    82 and name HD* ) 3.3 1.5 1.0

!Sequential nOe's with R-6 averaging
assign (resid   30 and name HD*  )(resid   31 and name HD1* ) 3.3 1.5 1.5
assign (resid   30 and name HD*  )(resid   31 and name HD2* ) 3.3 1.5 1.5
assign (resid   30 and name HE*  )(resid   31 and name HD2* ) 3.3 1.5 1.5
assign (resid   30 and name HE*  )(resid   31 and name HD2* ) 3.3 1.5 1.5
assign (resid   30 and name HZ   )(resid   31 and name HD1* ) 3.3 1.5 1.0
assign (resid   56 and name HD*  )(resid   55 and name HG*  ) 3.3 1.5 1.0 

!Short range nOe's with R-6 averaging (?)
assign (resid   30 and name HD*  )(resid   26 and name HD1* ) 3.3 1.5 1.0 
assign (resid   30 and name HE*  )(resid   26 and name HD1* ) 5.0 3.2 1.0 
assign (resid   35 and name HD*  )(resid   38 and name HD1* ) 3.3 1.5 1.0
assign (resid   40 and name HD*  )(resid   38 and name HG1* ) 3.3 1.5 1.0
assign (resid   40 and name HD*  )(resid   38 and name HG2* ) 4.0 2.2 1.0
assign (resid   40 and name HD*  )(resid   38 and name HD1* ) 3.3 1.5 1.0
assign (resid   40 and name HE*  )(resid   38 and name HG1* ) 4.0 2.2 1.0

clas seq
!HN(i)-HN(i+1)
assign (resid    7 and name HN   )(resid    8 and name HN   ) 2.8 1.0 0.5
assign (resid    8 and name HN   )(resid    9 and name HN   ) 2.8 1.0 0.5
assign (resid    9 and name HN   )(resid   10 and name HN   ) 2.8 1.0 0.5
assign (resid   10 and name HN   )(resid   11 and name HN   ) 2.8 1.0 0.5
assign (resid   11 and name HN   )(resid   12 and name HN   ) 2.8 1.0 0.5
assign (resid   12 and name HN   )(resid   13 and name HN   ) 2.8 1.0 0.5
assign (resid   13 and name HN   )(resid   14 and name HN   ) 2.8 1.0 0.5 
assign (resid   14 and name HN   )(resid   15 and name HN   ) 2.8 1.0 0.5
assign (resid   16 and name HN   )(resid   17 and name HN   ) 2.8 1.0 0.5
assign (resid   17 and name HN   )(resid   18 and name HN   ) 2.8 1.0 0.5
assign (resid   18 and name HN   )(resid   19 and name HN   ) 3.3 1.5 0.5
assign (resid   19 and name HN   )(resid   20 and name HN   ) 4.0 2.2 0.5
assign (resid   21 and name HN   )(resid   22 and name HN   ) 3.3 1.5 0.5
assign (resid   23 and name HN   )(resid   24 and name HN   ) 3.3 1.5 0.5
assign (resid   24 and name HN   )(resid   25 and name HN   ) 3.5 1.5 0.5 
assign (resid   25 and name HN   )(resid   26 and name HN   ) 3.3 1.5 0.5 
assign (resid   26 and name HN   )(resid   27 and name HN   ) 3.5 1.5 0.5
assign (resid   27 and name HN   )(resid   28 and name HN   ) 3.3 1.5 0.5 
assign (resid   28 and name HN   )(resid   29 and name HN   ) 4.0 2.2 0.5 
assign (resid   29 and name HN   )(resid   30 and name HN   ) 4.0 2.2 0.5
assign (resid   30 and name HN   )(resid   31 and name HN   ) 2.8 1.0 0.5
assign (resid   31 and name HN   )(resid   32 and name HN   ) 2.8 1.0 0.5
assign (resid   32 and name HN   )(resid   33 and name HN   ) 2.8 1.0 0.5
assign (resid   33 and name HN   )(resid   34 and name HN   ) 5.0 3.2 0.5
assign (resid   35 and name HN   )(resid   36 and name HN   ) 3.3 1.5 0.5
assign (resid   36 and name HN   )(resid   37 and name HN   ) 3.3 1.5 0.5
assign (resid   37 and name HN   )(resid   38 and name HN   ) 3.3 1.5 0.5
assign (resid   39 and name HN   )(resid   40 and name HN   ) 3.3 1.5 0.5
assign (resid   41 and name HN   )(resid   42 and name HN   ) 4.0 2.2 0.5 
assign (resid   42 and name HN   )(resid   43 and name HN   ) 2.8 1.0 0.5
assign (resid   43 and name HN   )(resid   44 and name HN   ) 2.8 1.0 0.5
assign (resid   44 and name HN   )(resid   45 and name HN   ) 2.8 1.0 0.5
assign (resid   45 and name HN   )(resid   46 and name HN   ) 2.8 1.0 0.5
assign (resid   46 and name HN   )(resid   47 and name HN   ) 2.8 1.0 0.5 
assign (resid   47 and name HN   )(resid   48 and name HN   ) 2.8 1.0 0.5 
assign (resid   48 and name HN   )(resid   49 and name HN   ) 2.8 1.0 0.5
assign (resid   49 and name HN   )(resid   50 and name HN   ) 2.8 1.0 0.5
assign (resid   50 and name HN   )(resid   51 and name HN   ) 2.8 1.0 0.5
assign (resid   51 and name HN   )(resid   52 and name HN   ) 2.8 1.0 0.5 
assign (resid   52 and name HN   )(resid   53 and name HN   ) 2.8 1.0 0.5 
assign (resid   53 and name HN   )(resid   54 and name HN   ) 2.8 1.0 0.5 
assign (resid   56 and name HN   )(resid   57 and name HN   ) 3.3 1.5 0.5
assign (resid   57 and name HN   )(resid   58 and name HN   ) 2.8 1.0 0.5 
assign (resid   58 and name HN   )(resid   59 and name HN   ) 5.0 3.2 0.5
assign (resid   62 and name HN   )(resid   63 and name HN   ) 2.8 1.0 0.5 
assign (resid   63 and name HN   )(resid   64 and name HN   ) 2.8 1.0 0.5
assign (resid   64 and name HN   )(resid   65 and name HN   ) 2.8 1.0 0.5
assign (resid   65 and name HN   )(resid   66 and name HN   ) 2.8 1.0 0.5
assign (resid   66 and name HN   )(resid   67 and name HN   ) 2.8 1.0 0.5
assign (resid   67 and name HN   )(resid   68 and name HN   ) 2.8 1.0 0.5
assign (resid   69 and name HN   )(resid   70 and name HN   ) 2.8 1.0 0.5
assign (resid   72 and name HN   )(resid   73 and name HN   ) 2.8 1.0 0.5
assign (resid   73 and name HN   )(resid   74 and name HN   ) 2.8 1.0 0.5
assign (resid   74 and name HN   )(resid   75 and name HN   ) 2.8 1.0 0.5
assign (resid   75 and name HN   )(resid   76 and name HN   ) 2.8 1.0 0.5
assign (resid   76 and name HN   )(resid   77 and name HN   ) 2.8 1.0 0.5
assign (resid   77 and name HN   )(resid   78 and name HN   ) 2.8 1.0 0.5
assign (resid   78 and name HN   )(resid   79 and name HN   ) 2.8 1.0 0.5
assign (resid   79 and name HN   )(resid   80 and name HN   ) 2.8 1.0 0.5
assign (resid   80 and name HN   )(resid   81 and name HN   ) 2.8 1.0 0.5
assign (resid   81 and name HN   )(resid   82 and name HN   ) 2.8 1.0 0.5
assign (resid   82 and name HN   )(resid   83 and name HN   ) 2.8 1.0 0.5
assign (resid   83 and name HN   )(resid   84 and name HN   ) 2.8 1.0 0.5
assign (resid   84 and name HN   )(resid   85 and name HN   ) 2.8 1.0 0.5
assign (resid   85 and name HN   )(resid   86 and name HN   ) 2.8 1.0 0.5 
!HA(i)-HN(i+1)
assign (resid    3 and name HA   )(resid    4 and name HN   ) 2.8 1.0 0.5
assign (resid    4 and name HA   )(resid    5 and name HN   ) 3.3 1.5 0.5
assign (resid    5 and name HA   )(resid    6 and name HN   ) 2.8 1.0 0.5
assign (resid    6 and name HA   )(resid    7 and name HN   ) 3.3 1.5 0.5 
assign (resid    7 and name HA   )(resid    8 and name HN   ) 4.0 2.2 0.5
assign (resid    8 and name HA   )(resid    9 and name HN   ) 4.0 2.2 0.5
assign (resid    9 and name HA   )(resid   10 and name HN   ) 4.0 2.2 0.5
assign (resid   10 and name HA   )(resid   11 and name HN   ) 4.0 2.2 0.5
assign (resid   11 and name HA   )(resid   12 and name HN   ) 4.0 2.2 0.5 
assign (resid   12 and name HA   )(resid   13 and name HN   ) 4.0 2.2 0.5
assign (resid   13 and name HA   )(resid   14 and name HN   ) 4.0 2.2 0.5
assign (resid   14 and name HA   )(resid   15 and name HN   ) 4.0 2.2 0.5
assign (resid   15 and name HA   )(resid   16 and name HN   ) 4.0 2.2 0.5
assign (resid   17 and name HA   )(resid   18 and name HN   ) 3.3 1.5 0.5
assign (resid   18 and name HA   )(resid   19 and name HN   ) 3.3 1.5 1.0 
assign (resid   19 and name HA*  )(resid   20 and name HN   ) 3.3 1.5 1.0
assign (resid   21 and name HA   )(resid   22 and name HN   ) 3.3 1.5 0.5 
assign (resid   22 and name HA   )(resid   23 and name HN   ) 3.3 1.5 0.5 
assign (resid   23 and name HA*  )(resid   24 and name HN   ) 3.3 1.5 1.0 
assign (resid   24 and name HA   )(resid   25 and name HN   ) 3.3 1.5 0.5
assign (resid   25 and name HA   )(resid   26 and name HN   ) 2.8 1.0 0.5 
assign (resid   26 and name HA   )(resid   27 and name HN   ) 3.3 1.5 0.5 
assign (resid   27 and name HA   )(resid   28 and name HN   ) 2.8 1.0 0.5
assign (resid   28 and name HA*  )(resid   29 and name HN   ) 2.8 1.0 1.0
assign (resid   29 and name HA   )(resid   30 and name HN   ) 3.3 1.5 0.5
assign (resid   30 and name HA   )(resid   31 and name HN   ) 4.0 2.2 0.5
assign (resid   31 and name HA   )(resid   32 and name HN   ) 4.0 2.2 0.5
assign (resid   32 and name HA   )(resid   33 and name HN   ) 4.0 2.2 0.5 
assign (resid   33 and name HA   )(resid   34 and name HN   ) 3.3 1.5 0.5
assign (resid   35 and name HA   )(resid   36 and name HN   ) 4.0 2.2 0.5 
assign (resid   36 and name HA   )(resid   37 and name HN   ) 4.0 2.2 0.5
assign (resid   37 and name HA   )(resid   38 and name HN   ) 4.0 2.2 0.5
assign (resid   38 and name HA   )(resid   39 and name HN   ) 4.0 2.2 0.5
assign (resid   39 and name HA*  )(resid   40 and name HN   ) 3.3 1.5 1.0
assign (resid   41 and name HA   )(resid   42 and name HN   ) 3.3 1.5 0.5 
assign (resid   42 and name HA   )(resid   43 and name HN   ) 3.3 1.5 0.5 
assign (resid   44 and name HA   )(resid   45 and name HN   ) 4.0 2.2 0.5 
assign (resid   45 and name HA   )(resid   46 and name HN   ) 4.0 2.2 0.5
assign (resid   48 and name HA   )(resid   49 and name HN   ) 3.3 1.5 0.5
assign (resid   49 and name HA   )(resid   50 and name HN   ) 4.0 2.2 0.5
assign (resid   50 and name HA   )(resid   51 and name HN   ) 4.0 2.2 0.5
assign (resid   51 and name HA   )(resid   52 and name HN   ) 4.0 2.2 0.5
assign (resid   52 and name HA   )(resid   53 and name HN   ) 4.0 2.2 0.5
assign (resid   53 and name HA   )(resid   54 and name HN   ) 4.0 2.2 0.5 
assign (resid   54 and name HA   )(resid   55 and name HN   ) 3.3 1.5 0.5 
assign (resid   55 and name HA   )(resid   56 and name HN   ) 3.3 1.5 0.5
assign (resid   56 and name HA   )(resid   57 and name HN   ) 4.0 2.2 0.5 
assign (resid   57 and name HA*  )(resid   58 and name HN   ) 3.3 1.5 0.5 
assign (resid   58 and name HA   )(resid   59 and name HN   ) 3.3 1.5 0.5 
assign (resid   61 and name HA   )(resid   62 and name HN   ) 2.8 1.0 0.5 
assign (resid   62 and name HA   )(resid   63 and name HN   ) 4.0 2.2 0.5
assign (resid   63 and name HA   )(resid   64 and name HN   ) 3.3 1.5 0.5
assign (resid   64 and name HA   )(resid   65 and name HN   ) 4.0 2.2 0.5
assign (resid   65 and name HA   )(resid   66 and name HN   ) 4.0 2.2 0.5
assign (resid   66 and name HA*  )(resid   67 and name HN   ) 4.0 2.2 1.0 
assign (resid   67 and name HA   )(resid   68 and name HN   ) 3.3 1.5 0.5
assign (resid   68 and name HA   )(resid   69 and name HN   ) 2.8 1.0 0.5
assign (resid   69 and name HA   )(resid   70 and name HN   ) 4.0 2.2 0.5
assign (resid   72 and name HA   )(resid   73 and name HN   ) 4.0 2.2 0.5
assign (resid   73 and name HA   )(resid   74 and name HN   ) 4.0 2.2 0.5 
assign (resid   74 and name HA   )(resid   75 and name HN   ) 3.3 1.5 0.5
assign (resid   75 and name HA   )(resid   76 and name HN   ) 4.0 2.2 0.5
assign (resid   76 and name HA   )(resid   77 and name HN   ) 4.0 2.2 0.5 
assign (resid   77 and name HA   )(resid   78 and name HN   ) 3.3 1.5 0.5 
assign (resid   78 and name HA   )(resid   79 and name HN   ) 4.0 2.2 0.5 
assign (resid   80 and name HA*  )(resid   81 and name HN   ) 4.0 2.2 0.5 
assign (resid   81 and name HA   )(resid   82 and name HN   ) 4.0 2.2 0.5
assign (resid   82 and name HA   )(resid   83 and name HN   ) 4.0 2.2 0.5
assign (resid   83 and name HA   )(resid   84 and name HN   ) 3.3 1.5 0.5 
assign (resid   84 and name HA   )(resid   85 and name HN   ) 3.3 1.5 0.5
!HB(i)-HN(i+1)
assign (resid    4 and name HB*  )(resid    5 and name HN   ) 3.3 1.5 1.0 
assign (resid    5 and name HB*  )(resid    6 and name HN   ) 3.3 1.5 1.0 
assign (resid    7 and name HB   )(resid    8 and name HN   ) 3.3 1.5 0.5
assign (resid    8 and name HB*  )(resid    9 and name HN   ) 3.3 1.5 1.0
assign (resid    9 and name HB2  )(resid   10 and name HN   ) 3.3 1.5 0.5 
assign (resid    9 and name HB1  )(resid   10 and name HN   ) 3.3 1.5 0.5
assign (resid   10 and name HB*  )(resid   11 and name HN   ) 3.3 1.5 1.0
assign (resid   11 and name HB1  )(resid   12 and name HN   ) 2.8 1.0 0.5
assign (resid   11 and name HB2  )(resid   12 and name HN   ) 2.8 1.0 0.5
assign (resid   12 and name HB2  )(resid   13 and name HN   ) 3.3 1.0 0.5
assign (resid   13 and name HB*  )(resid   14 and name HN   ) 2.8 1.0 1.0
assign (resid   14 and name HB1  )(resid   15 and name HN   ) 3.3 1.5 0.5
assign (resid   14 and name HB2  )(resid   15 and name HN   ) 3.3 1.5 0.5
assign (resid   15 and name HB   )(resid   16 and name HN   ) 3.3 1.5 0.5
assign (resid   16 and name HB*  )(resid   17 and name HN   ) 4.0 2.2 1.0
assign (resid   17 and name HB2  )(resid   18 and name HN   ) 4.0 2.2 0.5 
assign (resid   17 and name HB1  )(resid   18 and name HN   ) 4.0 2.2 0.5 
assign (resid   18 and name HB*  )(resid   19 and name HN   ) 3.3 1.5 1.0
assign (resid   20 and name HB2  )(resid   21 and name HN   ) 4.0 2.2 0.5
assign (resid   20 and name HB1  )(resid   21 and name HN   ) 4.0 2.2 0.5
assign (resid   22 and name HB*  )(resid   23 and name HN   ) 3.3 1.5 1.5
assign (resid   24 and name HB   )(resid   25 and name HN   ) 3.3 1.5 0.5 
assign (resid   25 and name HB*  )(resid   26 and name HN   ) 3.3 1.5 1.0 
assign (resid   27 and name HB*  )(resid   28 and name HN   ) 3.3 1.5 1.0
assign (resid   30 and name HB1  )(resid   31 and name HN   ) 4.0 2.2 0.5
assign (resid   35 and name HB2  )(resid   36 and name HN   ) 4.0 2.2 0.5 
assign (resid   35 and name HB1  )(resid   36 and name HN   ) 4.0 2.2 0.5 
assign (resid   36 and name HB*  )(resid   37 and name HN   ) 3.3 1.5 1.0
assign (resid   37 and name HB2  )(resid   38 and name HN   ) 4.0 2.2 0.5 
assign (resid   37 and name HB1  )(resid   38 and name HN   ) 4.0 2.2 0.5 
assign (resid   41 and name HB1  )(resid   42 and name HN   ) 3.3 1.5 0.5
assign (resid   41 and name HB2  )(resid   42 and name HN   ) 3.3 1.5 0.5
assign (resid   42 and name HB1* )(resid   43 and name HN   ) 4.0 2.2 0.5
assign (resid   42 and name HB2* )(resid   43 and name HN   ) 4.0 2.2 0.5
assign (resid   43 and name HB*  )(resid   44 and name HN   ) 3.3 1.5 1.0 
assign (resid   44 and name HB*  )(resid   45 and name HN   ) 3.3 1.5 1.0 
assign (resid   45 and name HB1  )(resid   46 and name HN   ) 3.3 1.5 1.0 
assign (resid   46 and name HB*  )(resid   47 and name HN   ) 3.3 1.5 0.5
assign (resid   47 and name HB*  )(resid   48 and name HN   ) 3.3 1.5 1.0 
assign (resid   48 and name HB   )(resid   49 and name HN   ) 3.3 1.5 1.0 
assign (resid   49 and name HB*  )(resid   50 and name HN   ) 3.3 1.5 1.0 
assign (resid   50 and name HB*  )(resid   51 and name HN   ) 3.3 1.5 1.0
assign (resid   51 and name HB*  )(resid   52 and name HN   ) 3.3 1.5 1.0 
assign (resid   53 and name HB*  )(resid   54 and name HN   ) 3.3 1.5 1.0 
assign (resid   55 and name HB*  )(resid   56 and name HN   ) 3.3 1.5 1.0 
assign (resid   56 and name HB1  )(resid   57 and name HN   ) 5.0 3.2 0.5 
assign (resid   56 and name HB2  )(resid   57 and name HN   ) 4.0 2.2 0.5 
assign (resid   58 and name HB   )(resid   59 and name HN   ) 3.3 1.5 0.5
assign (resid   61 and name HB*  )(resid   62 and name HN   ) 3.3 1.5 1.0
assign (resid   62 and name HB1  )(resid   63 and name HN   ) 3.3 1.5 0.5
assign (resid   63 and name HB*  )(resid   64 and name HN   ) 3.3 1.5 1.0
assign (resid   64 and name HB   )(resid   65 and name HN   ) 3.3 1.5 0.5 
assign (resid   65 and name HB*  )(resid   66 and name HN   ) 3.3 1.5 1.0
assign (resid   68 and name HB   )(resid   69 and name HN   ) 4.0 2.2 0.5
assign (resid   69 and name HB*  )(resid   70 and name HN   ) 4.0 2.2 1.0
assign (resid   72 and name HB*  )(resid   73 and name HN   ) 3.3 1.5 0.5 
assign (resid   73 and name HB*  )(resid   74 and name HN   ) 3.3 1.5 0.5
assign (resid   74 and name HB*  )(resid   75 and name HN   ) 2.8 1.0 1.0
assign (resid   75 and name HB1  )(resid   76 and name HN   ) 2.8 1.0 0.5
assign (resid   75 and name HB2  )(resid   76 and name HN   ) 4.0 2.2 0.5
assign (resid   76 and name HB*  )(resid   77 and name HN   ) 2.8 1.0 1.0 
assign (resid   77 and name HB*  )(resid   78 and name HN   ) 2.8 1.0 1.0
assign (resid   78 and name HB   )(resid   79 and name HN   ) 2.8 1.0 0.5 
assign (resid   79 and name HB1  )(resid   80 and name HN   ) 4.0 2.2 0.5
assign (resid   79 and name HB2  )(resid   80 and name HN   ) 4.0 2.2 0.5
assign (resid   81 and name HB*  )(resid   82 and name HN   ) 2.8 1.0 1.0 
assign (resid   82 and name HB*  )(resid   83 and name HN   ) 3.3 1.5 1.0 
assign (resid   83 and name HB*  )(resid   84 and name HN   ) 3.3 1.5 1.0 
assign (resid   84 and name HB*  )(resid   85 and name HN   ) 3.3 1.5 1.0
! HG(i)-HN(i+1)  
assign (resid   7  and name HG2* )(resid    8 and name HN   ) 3.3 1.5 1.0
assign (resid   14 and name HG   )(resid   15 and name HN   ) 4.0 2.2 1.0
assign (resid   15 and name HG2* )(resid   16 and name HN   ) 4.0 2.2 1.0 
assign (resid   15 and name HG1* )(resid   16 and name HN   ) 4.0 2.2 1.0 
assign (resid   20 and name HG*  )(resid   21 and name HN   ) 5.0 3.2 1.0 
assign (resid   21 and name HG2* )(resid   22 and name HN   ) 4.0 2.2 1.0
assign (resid   24 and name HG2* )(resid   25 and name HN   ) 3.3 1.5 1.0
assign (resid   33 and name HG   )(resid   34 and name HN   ) 4.0 4.0 1.0
assign (resid   48 and name HG2* )(resid   49 and name HN   ) 3.3 1.5 1.0
assign (resid   55 and name HG*  )(resid   56 and name HN   ) 3.3 1.5 1.5 
assign (resid   53 and name HG*  )(resid   54 and name HN   ) 5.0 3.2 1.0
assign (resid   58 and name HG1* )(resid   59 and name HN   ) 3.3 1.5 1.0
assign (resid   64 and name HG1* )(resid   65 and name HN   ) 3.3 1.5 1.0
assign (resid   64 and name HG2* )(resid   65 and name HN   ) 3.3 1.5 1.0
assign (resid   68 and name HG2* )(resid   69 and name HN   ) 4.0 2.2 1.0 
assign (resid   75 and name HG   )(resid   76 and name HN   ) 5.0 3.2 1.0 
assign (resid   77 and name HG   )(resid   78 and name HN   ) 3.3 1.5 1.0 
assign (resid   78 and name HG2* )(resid   79 and name HN   ) 3.3 1.5 1.0
assign (resid   82 and name HG   )(resid   83 and name HN   ) 4.0 2.2 1.0 
! HD(i)-HN(i+1)
assign (resid   4  and name HD1* )(resid   5  and name HN   ) 5.0 3.2 1.0
assign (resid   4  and name HD2* )(resid   5  and name HN   ) 5.0 3.2 1.0 
assign (resid   5  and name HD1* )(resid   6  and name HN   ) 4.0 2.2 1.0 
assign (resid   5  and name HD2* )(resid   6  and name HN   ) 4.0 2.2 1.0 
assign (resid   10 and name HD*  )(resid   11 and name HN   ) 3.3 1.5 2.5 
assign (resid   74 and name HD*  )(resid   75 and name HN   ) 5.0 3.2 2.5
assign (resid   75 and name HD2* )(resid   76 and name HN   ) 4.0 2.2 0.5 
assign (resid   75 and name HD1* )(resid   76 and name HN   ) 5.0 3.2 0.5 
assign (resid   77 and name HD*  )(resid   78 and name HN   ) 4.0 2.2 2.5
assign (resid   78 and name HD2* )(resid   79 and name HN   ) 4.0 2.2 1.0
assign (resid   82 and name HD*  )(resid   83 and name HN   ) 4.0 2.2 2.5 
! Sequential Proline contacts
assign (resid   60 and name HA   )(resid   61 and name HD*  ) 3.3 1.5 1.0
assign (resid   70 and name HA   )(resid   71 and name HD*  ) 4.0 2.2 1.0
clas short
!HA(i)-HN(i+3)
assign (resid    7 and name HA   )(resid   10 and name HN   ) 3.3 1.5 0.5
assign (resid    8 and name HA   )(resid   11 and name HN   ) 3.3 1.5 0.5
assign (resid    9 and name HA   )(resid   12 and name HN   ) 3.3 1.5 0.5
assign (resid   10 and name HA   )(resid   13 and name HN   ) 3.3 1.5 0.5
assign (resid   11 and name HA   )(resid   14 and name HN   ) 3.3 1.5 0.5
assign (resid   12 and name HA   )(resid   15 and name HN   ) 3.3 1.5 0.5
assign (resid   13 and name HA   )(resid   16 and name HN   ) 3.3 1.5 0.5
assign (resid   14 and name HA   )(resid   17 and name HN   ) 3.3 1.5 0.5
assign (resid   15 and name HA   )(resid   18 and name HN   ) 3.3 1.5 0.5
assign (resid   16 and name HA   )(resid   19 and name HN   ) 4.0 2.2 0.5
assign (resid   42 and name HA   )(resid   45 and name HN   ) 3.3 1.5 0.5 
assign (resid   43 and name HA   )(resid   44 and name HN   ) 3.3 1.5 0.5
assign (resid   45 and name HA   )(resid   48 and name HN   ) 3.3 1.5 0.5 
assign (resid   46 and name HA   )(resid   49 and name HN   ) 3.3 1.5 0.5 
assign (resid   48 and name HA   )(resid   51 and name HN   ) 3.3 1.5 0.5 
assign (resid   49 and name HA   )(resid   52 and name HN   ) 3.3 1.5 0.5
assign (resid   50 and name HA   )(resid   53 and name HN   ) 3.3 1.5 0.5
assign (resid   54 and name HA   )(resid   57 and name HN   ) 3.3 1.5 0.5
assign (resid   63 and name HA   )(resid   66 and name HN   ) 3.3 1.5 0.5  
assign (resid   64 and name HA   )(resid   67 and name HN   ) 3.3 1.5 0.5 
assign (resid   72 and name HA   )(resid   75 and name HN   ) 3.3 1.5 0.5 
assign (resid   73 and name HA   )(resid   76 and name HN   ) 3.3 1.5 0.5 
assign (resid   74 and name HA   )(resid   77 and name HN   ) 3.3 1.5 0.5 
assign (resid   75 and name HA   )(resid   78 and name HN   ) 3.3 1.5 0.5 
assign (resid   76 and name HA   )(resid   79 and name HN   ) 3.3 1.5 0.5 
assign (resid   77 and name HA   )(resid   80 and name HN   ) 3.3 1.5 0.5
assign (resid   78 and name HA   )(resid   81 and name HN   ) 3.3 1.5 0.5 
assign (resid   79 and name HA   )(resid   82 and name HN   ) 3.3 1.5 0.5 
assign (resid   81 and name HA   )(resid   84 and name HN   ) 3.3 1.5 0.5 
assign (resid   82 and name HA   )(resid   85 and name HN   ) 3.3 1.5 0.5 
!HA(i)-HN(i+4)
assign (resid    7 and name HA   )(resid   11 and name HN   ) 4.0 2.2 0.5 
assign (resid   11 and name HA   )(resid   15 and name HN   ) 4.0 2.2 0.5 
assign (resid   12 and name HA   )(resid   16 and name HN   ) 4.0 2.2 0.5
assign (resid   42 and name HA   )(resid   46 and name HN   ) 4.0 2.2 0.5
assign (resid   48 and name HA   )(resid   52 and name HN   ) 4.0 2.2 0.5
assign (resid   45 and name HA   )(resid   49 and name HN   ) 4.0 2.2 0.5 
assign (resid   72 and name HA   )(resid   76 and name HN   ) 4.0 2.2 0.5 
assign (resid   75 and name HA   )(resid   79 and name HN   ) 4.0 2.2 0.5 
assign (resid   78 and name HA   )(resid   82 and name HN   ) 4.0 2.2 0.5 
!HA(i)-HB(i+3)
assign (resid    7 and name HA   )(resid   10 and name HB*  ) 3.3 1.5 1.0
assign (resid    8 and name HA   )(resid   11 and name HB2  ) 3.3 1.5 0.5
assign (resid   11 and name HA   )(resid   14 and name HB1  ) 4.0 2.2 0.5
assign (resid   12 and name HA   )(resid   15 and name HB   ) 3.3 1.5 0.5
assign (resid   13 and name HA   )(resid   16 and name HB*  ) 3.3 1.5 1.0
assign (resid   42 and name HA   )(resid   45 and name HB*  ) 3.3 1.5 1.5 
assign (resid   45 and name HA   )(resid   48 and name HB   ) 3.3 1.5 0.5
assign (resid   49 and name HA   )(resid   52 and name HB*  ) 3.3 1.5 1.0
assign (resid   62 and name HA   )(resid   65 and name HB*  ) 3.3 1.5 1.5 
assign (resid   64 and name HA   )(resid   67 and name HB*  ) 4.0 2.2 1.0 
assign (resid   72 and name HA   )(resid   75 and name HB1  ) 2.8 1.0 0.5 
assign (resid   72 and name HA   )(resid   75 and name HB2  ) 4.0 1.5 0.5 
assign (resid   73 and name HA   )(resid   76 and name HB*  ) 3.3 1.5 1.0
assign (resid   74 and name HA   )(resid   77 and name HB*  ) 3.3 1.5 1.0 
assign (resid   75 and name HA   )(resid   78 and name HB   ) 3.3 1.5 1.0
assign (resid   78 and name HA   )(resid   81 and name HB*  ) 3.3 1.5 1.0 
assign (resid   80 and name HA*  )(resid   83 and name HB*  ) 3.3 1.5 1.0 
assign (resid   81 and name HA   )(resid   84 and name HB*  ) 3.3 1.5 1.0 
assign (resid   82 and name HA   )(resid   85 and name HB*  ) 4.0 2.2 1.0 
! HN(i)-HN(i+2)
assign (resid   81 and name HN   )(resid   83 and name HN   ) 4.0 2.2 1.0
!HA(i)-HDG(i+3)
assign (resid   11 and name HA   )(resid   14 and name HD1* ) 4.0 2.2 0.5
assign (resid   12 and name HA   )(resid   15 and name HG*  ) 4.0 2.2 2.5
assign (resid   65 and name HA   )(resid   68 and name HG1* ) 3.3 1.5 1.5 
assign (resid   65 and name HA   )(resid   68 and name HG2* ) 3.3 1.5 1.5
assign (resid   42 and name HA   )(resid   45 and name HD1* ) 4.0 2.2 1.0
assign (resid   42 and name HA   )(resid   45 and name HD2* ) 4.0 2.2 1.0
! Thr 70 NH
assign (resid   70 and name HN   )(resid   73 and name HB*  ) 3.3 1.5 1.0 
!HA(i)-HN(i+2)
assign (resid   21 and name HA   )(resid   23 and name HN   ) 3.3 1.5 1.0 
assign (resid   68 and name HA   )(resid   70 and name HN   ) 4.0 2.2 0.5
!HB(i)-HN(i+2)
assign (resid   21 and name HB   )(resid   23 and name HN   ) 3.3 1.5 1.0 
!HG*(i)-HN(i+2)
assign (resid   68 and name HG2* )(resid   70 and name HN   ) 4.0 2.2 0.5 
! Tyr 40 short range contacts
assign (resid   40 and name HD*  )(resid   38 and name HD*  ) 4.0 2.2 4.0 
assign (resid   40 and name HE*  )(resid   38 and name HD*  ) 4.0 2.2 4.0 
assign (resid   40 and name HE*  )(resid   38 and name HG1* ) 3.3 1.5 4.0 
assign (resid   40 and name HD*  )(resid   38 and name HG1* ) 3.3 1.5 4.0 
! OTHERS
assign (resid   9 and name HB2*  )(resid    6 and name HN    ) 3.3 1.5 0.5
assign (resid   9 and name HB1*  )(resid    6 and name HN    ) 3.3 1.5 0.5
assign (resid   5 and name HD1*  )(resid    9 and name HB1*  ) 3.3 1.5 1.5
assign (resid   5 and name HD2*  )(resid    9 and name HB1*  ) 4.0 2.2 1.5
assign (resid   5 and name HD1*  )(resid    9 and name HB2*  ) 3.3 1.5 1.5 
assign (resid   5 and name HD2*  )(resid    9 and name HB2*  ) 4.0 2.2 1.5
assign (resid  10 and name HD2*  )(resid   14 and name HD1*  ) 4.0 2.2 1.5
assign (resid  24 and name HG2*  )(resid   26 and name HD1*  ) 4.0 2.2 1.5
assign (resid  31 and name HD2*  )(resid   34 and name HB1   ) 4.0 2.2 1.0
assign (resid  31 and name HD2*  )(resid   34 and name HB2   ) 4.0 2.2 1.0
assign (resid  31 and name HD2*  )(resid   34 and name HG*   ) 5.0 3.2 1.5
assign (resid  75 and name HD1*  )(resid   79 and name HD2*  ) 3.3 1.5 1.5
assign (resid  75 and name HD2*  )(resid   79 and name HD2*  ) 3.3 1.5 1.5
assign (resid  68 and name HG2*  )(resid   73 and name HG*   ) 3.3 1.5 1.5 
assign (resid  68 and name HG2*  )(resid   74 and name HN    ) 4.0 2.2 1.0
!H-BONDS
assign (resid   6  and name   O  )(resid   10 and name HN   ) 1.8 1.8 0.5 
assign (resid   6  and name   O  )(resid   10 and name N    ) 2.7 2.7 0.5 
assign (resid   7  and name   O  )(resid   11 and name HN   ) 1.8 1.8 0.5 
assign (resid   7  and name   O  )(resid   11 and name N    ) 2.7 2.7 0.5 
assign (resid   8  and name   O  )(resid   12 and name HN   ) 1.8 1.8 0.5 
assign (resid   8  and name   O  )(resid   12 and name N    ) 2.7 2.7 0.5 
assign (resid   9  and name   O  )(resid   13 and name HN   ) 1.8 1.8 0.5 
assign (resid   9  and name   O  )(resid   13 and name N    ) 2.7 2.7 0.5 
assign (resid   10 and name   O  )(resid   14 and name HN   ) 1.8 1.8 0.5 
assign (resid   10 and name   O  )(resid   14 and name N    ) 2.7 2.7 0.5 
assign (resid   11 and name   O  )(resid   15 and name HN   ) 1.8 1.8 0.5 
assign (resid   11 and name   O  )(resid   15 and name N    ) 2.7 2.7 0.5 
assign (resid   45 and name   O  )(resid   49 and name HN   ) 1.8 1.8 0.5 
assign (resid   45 and name   O  )(resid   49 and name N    ) 2.7 2.7 0.5 
assign (resid   46 and name   O  )(resid   50 and name HN   ) 1.8 1.8 0.5 
assign (resid   46 and name   O  )(resid   50 and name N    ) 2.7 2.7 0.5 
assign (resid   47 and name   O  )(resid   51 and name HN   ) 1.8 1.8 0.5
assign (resid   47 and name   O  )(resid   51 and name N    ) 2.7 2.7 0.5
assign (resid   48 and name   O  )(resid   52 and name HN   ) 1.8 1.8 0.5 
assign (resid   48 and name   O  )(resid   52 and name N    ) 2.7 2.7 0.5 
assign (resid   49 and name   O  )(resid   53 and name HN   ) 1.8 1.8 0.5 
assign (resid   49 and name   O  )(resid   53 and name N    ) 2.7 2.7 0.5 
assign (resid   62 and name   O  )(resid   66 and name HN   ) 1.8 1.8 0.5 
assign (resid   62 and name   O  )(resid   66 and name N    ) 2.7 2.7 0.5 
assign (resid   63 and name   O  )(resid   67 and name HN   ) 1.8 1.8 0.5 
assign (resid   63 and name   O  )(resid   67 and name N    ) 2.7 2.7 0.5 
assign (resid   71 and name   O  )(resid   73 and name HN   ) 2.5 0.5 0.5
assign (resid   71 and name   O  )(resid   74 and name HN   ) 2.5 0.5 0.5 
assign (resid   70 and name   O  )(resid   74 and name HN   ) 2.7 2.7 0.5 
assign (resid   71 and name   O  )(resid   75 and name HN   ) 1.8 1.8 1.0 
assign (resid   71 and name   O  )(resid   75 and name N    ) 2.7 2.7 1.0 
assign (resid   72 and name   O  )(resid   76 and name HN   ) 1.8 1.8 0.5 
assign (resid   72 and name   O  )(resid   76 and name N    ) 2.7 2.7 0.5 
assign (resid   73 and name   O  )(resid   77 and name HN   ) 1.8 1.8 0.5 
assign (resid   73 and name   O  )(resid   77 and name N    ) 2.7 2.7 0.5 
assign (resid   74 and name   O  )(resid   78 and name HN   ) 1.8 1.8 0.5 
assign (resid   74 and name   O  )(resid   78 and name N    ) 2.7 2.7 0.5 
assign (resid   75 and name   O  )(resid   79 and name HN   ) 1.8 1.8 0.5 
assign (resid   75 and name   O  )(resid   79 and name N    ) 2.7 2.7 0.5 
assign (resid   77 and name   O  )(resid   81 and name HN   ) 1.8 1.8 0.5 
assign (resid   77 and name   O  )(resid   81 and name N    ) 2.7 2.7 0.5 
! Long Range H-Bonds
assign (resid   79 and name  OD1 )(resid    5 and name HN   ) 2.8 2.8 0.5
clas intra
!HN(i)-HA(i)
assign (resid    2 and name HN   )(resid    2 and name HA   ) 4.0 2.2 0.5
assign (resid    3 and name HN   )(resid    3 and name HA   ) 4.0 1.5 0.5 
assign (resid    4 and name HN   )(resid    4 and name HA   ) 4.0 1.5 0.5 
assign (resid    5 and name HN   )(resid    5 and name HA   ) 4.0 1.5 0.5  
assign (resid    6 and name HN   )(resid    6 and name HA   ) 4.0 2.2 0.5
assign (resid    7 and name HN   )(resid    7 and name HA   ) 3.3 1.5 0.5
assign (resid    8 and name HN   )(resid    8 and name HA   ) 2.8 1.0 0.5
assign (resid    9 and name HN   )(resid    9 and name HA   ) 2.8 1.0 0.5 
assign (resid   10 and name HN   )(resid   10 and name HA   ) 2.8 1.0 0.5
assign (resid   11 and name HN   )(resid   11 and name HA   ) 2.8 1.0 0.5
assign (resid   12 and name HN   )(resid   12 and name HA   ) 2.8 1.0 0.5
assign (resid   13 and name HN   )(resid   13 and name HA   ) 2.8 1.0 0.5
assign (resid   14 and name HN   )(resid   14 and name HA   ) 2.8 1.0 0.5 
assign (resid   15 and name HN   )(resid   15 and name HA   ) 2.8 1.0 0.5
assign (resid   16 and name HN   )(resid   16 and name HA   ) 2.8 1.0 0.5
assign (resid   17 and name HN   )(resid   17 and name HA   ) 3.3 1.5 0.5
assign (resid   18 and name HN   )(resid   18 and name HA   ) 3.3 1.5 0.5
assign (resid   19 and name HN   )(resid   19 and name HA*  ) 2.8 1.0 1.0 
assign (resid   20 and name HN   )(resid   20 and name HA   ) 3.3 1.5 0.5
assign (resid   21 and name HN   )(resid   21 and name HA   ) 3.3 1.5 1.0 
assign (resid   22 and name HN   )(resid   22 and name HA   ) 3.3 1.5 1.0 
assign (resid   23 and name HN   )(resid   23 and name HA*  ) 2.8 1.0 1.0
assign (resid   24 and name HN   )(resid   24 and name HA   ) 3.3 1.5 0.5
assign (resid   25 and name HN   )(resid   25 and name HA   ) 2.8 1.0 0.4
assign (resid   26 and name HN   )(resid   26 and name HA   ) 3.3 1.5 0.5 
assign (resid   27 and name HN   )(resid   27 and name HA   ) 2.8 1.0 0.5
assign (resid   28 and name HN   )(resid   28 and name HA*  ) 2.8 1.0 1.0  
assign (resid   29 and name HN   )(resid   29 and name HA   ) 4.0 2.2 0.5
assign (resid   31 and name HN   )(resid   31 and name HA   ) 4.0 2.2 0.5 
assign (resid   32 and name HN   )(resid   32 and name HA   ) 4.0 2.2 0.5
assign (resid   33 and name HN   )(resid   33 and name HA   ) 3.3 1.5 0.4
assign (resid   34 and name HN   )(resid   34 and name HA   ) 3.3 1.5 0.4
assign (resid   35 and name HN   )(resid   35 and name HA   ) 2.8 1.0 0.4
assign (resid   36 and name HN   )(resid   36 and name HA   ) 2.8 1.0 0.5
assign (resid   37 and name HN   )(resid   37 and name HA   ) 4.0 2.2 0.5
assign (resid   38 and name HN   )(resid   38 and name HA   ) 3.3 1.5 0.5
assign (resid   39 and name HN   )(resid   39 and name HA*  ) 3.3 1.5 1.0 
assign (resid   40 and name HN   )(resid   40 and name HA   ) 2.8 1.0 0.5
assign (resid   41 and name HN   )(resid   41 and name HA   ) 3.3 1.5 0.5
assign (resid   42 and name HN   )(resid   42 and name HA   ) 2.8 1.0 0.5
assign (resid   43 and name HN   )(resid   43 and name HA   ) 2.8 1.0 0.5
assign (resid   44 and name HN   )(resid   44 and name HA   ) 2.8 1.0 0.5 
assign (resid   45 and name HN   )(resid   45 and name HA   ) 3.3 1.5 0.5 
assign (resid   46 and name HN   )(resid   46 and name HA   ) 2.8 1.0 0.5 
assign (resid   47 and name HN   )(resid   47 and name HA   ) 2.8 1.0 0.5 
assign (resid   48 and name HN   )(resid   48 and name HA   ) 2.8 1.0 0.5 
assign (resid   49 and name HN   )(resid   49 and name HA   ) 2.8 1.0 0.5 
assign (resid   50 and name HN   )(resid   50 and name HA   ) 2.8 1.0 0.5
assign (resid   51 and name HN   )(resid   51 and name HA   ) 3.3 1.0 0.5
assign (resid   52 and name HN   )(resid   52 and name HA   ) 2.8 1.0 0.5
assign (resid   53 and name HN   )(resid   53 and name HA   ) 2.8 1.0 0.5
assign (resid   54 and name HN   )(resid   54 and name HA   ) 3.3 1.5 0.5
assign (resid   55 and name HN   )(resid   55 and name HA   ) 3.3 1.5 0.5 
assign (resid   56 and name HN   )(resid   56 and name HA   ) 3.3 1.5 0.5
assign (resid   58 and name HN   )(resid   58 and name HA   ) 4.0 2.2 0.5
assign (resid   59 and name HN   )(resid   59 and name HA   ) 3.3 1.5 0.5
assign (resid   60 and name HN   )(resid   60 and name HA   ) 3.3 1.5 1.0 
assign (resid   62 and name HN   )(resid   62 and name HA   ) 3.3 1.5 0.4
assign (resid   63 and name HN   )(resid   63 and name HA   ) 3.3 1.5 0.5
assign (resid   64 and name HN   )(resid   64 and name HA   ) 2.8 1.0 0.5
assign (resid   65 and name HN   )(resid   65 and name HA   ) 2.8 1.0 0.5
assign (resid   66 and name HN   )(resid   66 and name HA*  ) 2.8 1.0 1.0
assign (resid   67 and name HN   )(resid   67 and name HA   ) 3.3 1.5 1.0
assign (resid   68 and name HN   )(resid   68 and name HA   ) 3.3 1.5 0.5
assign (resid   69 and name HN   )(resid   69 and name HA   ) 3.3 1.5 0.5
assign (resid   72 and name HN   )(resid   72 and name HA   ) 2.8 1.0 0.4
assign (resid   73 and name HN   )(resid   73 and name HA   ) 2.8 1.0 0.4 
assign (resid   74 and name HN   )(resid   74 and name HA   ) 2.8 1.0 0.4
assign (resid   75 and name HN   )(resid   75 and name HA   ) 2.8 1.0 0.4 
assign (resid   76 and name HN   )(resid   76 and name HA   ) 2.8 1.0 0.4
assign (resid   77 and name HN   )(resid   77 and name HA   ) 2.8 1.0 0.4
assign (resid   78 and name HN   )(resid   78 and name HA   ) 2.8 1.0 0.4
assign (resid   79 and name HN   )(resid   79 and name HA   ) 2.8 1.0 0.4
assign (resid   80 and name HN   )(resid   80 and name HA*  ) 2.8 1.0 1.0 
assign (resid   81 and name HN   )(resid   81 and name HA   ) 2.8 1.0 0.4
assign (resid   82 and name HN   )(resid   82 and name HA   ) 2.8 1.0 0.4 
assign (resid   83 and name HN   )(resid   83 and name HA   ) 2.8 1.0 0.4 
assign (resid   84 and name HN   )(resid   84 and name HA   ) 2.8 1.0 0.4 
assign (resid   85 and name HN   )(resid   85 and name HA   ) 2.8 1.0 0.4
assign (resid   86 and name HN   )(resid   86 and name HA   ) 2.8 1.0 0.4
!HN(i)-HB(i)
assign (resid    2 and name HN   )(resid    2 and name HB*  ) 3.3 1.5 1.0
assign (resid    3 and name HN   )(resid    3 and name HB   ) 3.3 1.5 0.5
assign (resid    4 and name HN   )(resid    4 and name HB*  ) 3.3 1.5 1.0
assign (resid    5 and name HN   )(resid    5 and name HB*  ) 3.3 1.5 1.0
assign (resid    7 and name HN   )(resid    7 and name HB   ) 3.3 1.5 0.5
assign (resid    8 and name HN   )(resid    8 and name HB*  ) 3.3 1.5 1.0
assign (resid    9 and name HN   )(resid    9 and name HB1  ) 2.8 1.0 0.5 
assign (resid    9 and name HN   )(resid    9 and name HB2  ) 2.8 1.0 0.5 
assign (resid   10 and name HN   )(resid   10 and name HB*  ) 3.3 1.5 1.0
assign (resid   11 and name HN   )(resid   11 and name HB1  ) 2.8 1.0 0.5
assign (resid   11 and name HN   )(resid   11 and name HB2  ) 2.8 1.0 0.5
assign (resid   12 and name HN   )(resid   12 and name HB1  ) 3.3 1.5 0.5
assign (resid   12 and name HN   )(resid   12 and name HB2  ) 3.3 1.5 0.5
assign (resid   13 and name HN   )(resid   13 and name HB*  ) 3.3 1.5 1.0 
assign (resid   14 and name HN   )(resid   14 and name HB1  ) 4.0 2.2 0.5
assign (resid   14 and name HN   )(resid   14 and name HB2  ) 2.8 1.0 0.5
assign (resid   15 and name HN   )(resid   15 and name HB   ) 3.3 1.5 0.5
assign (resid   16 and name HN   )(resid   16 and name HB*  ) 2.8 1.0 1.0
assign (resid   17 and name HN   )(resid   17 and name HB1  ) 4.0 2.2 0.5
assign (resid   17 and name HN   )(resid   17 and name HB2  ) 2.8 1.0 0.5
assign (resid   18 and name HN   )(resid   18 and name HB*  ) 3.3 1.5 1.0
assign (resid   21 and name HN   )(resid   21 and name HB   ) 4.0 2.2 0.5
assign (resid   22 and name HN   )(resid   22 and name HB*  ) 3.3 1.5 1.0
assign (resid   24 and name HN   )(resid   24 and name HB   ) 3.3 1.5 0.5
assign (resid   25 and name HN   )(resid   25 and name HB*  ) 3.3 1.5 1.0
assign (resid   29 and name HN   )(resid   29 and name HB1  ) 4.0 2.2 0.5 
assign (resid   29 and name HN   )(resid   29 and name HB2  ) 2.8 1.0 0.5 
assign (resid   30 and name HN   )(resid   30 and name HB1  ) 2.8 1.0 0.5
assign (resid   30 and name HN   )(resid   30 and name HB2  ) 4.0 2.2 0.5
assign (resid   31 and name HN   )(resid   31 and name HB*  ) 2.8 1.0 1.0
assign (resid   32 and name HN   )(resid   32 and name HB1  ) 4.0 2.2 0.5
assign (resid   32 and name HN   )(resid   32 and name HB2  ) 2.8 1.0 0.5
assign (resid   33 and name HN   )(resid   33 and name HB*  ) 3.3 1.5 1.0
assign (resid   34 and name HN   )(resid   34 and name HB1  ) 3.3 1.5 1.0
assign (resid   34 and name HN   )(resid   34 and name HB2  ) 3.3 1.5 1.0
assign (resid   35 and name HN   )(resid   35 and name HB2  ) 2.7 1.0 0.5 
assign (resid   35 and name HN   )(resid   35 and name HB1  ) 4.0 2.2 0.5 
assign (resid   36 and name HN   )(resid   36 and name HB*  ) 3.3 1.5 1.0
assign (resid   37 and name HN   )(resid   37 and name HB2  ) 3.3 1.5 0.5 
assign (resid   37 and name HN   )(resid   37 and name HB1  ) 3.3 1.5 0.5 
assign (resid   38 and name HN   )(resid   38 and name HB*  ) 3.3 1.5 0.5
assign (resid   40 and name HN   )(resid   40 and name HB2  ) 2.8 1.0 0.5 
assign (resid   40 and name HN   )(resid   40 and name HB1  ) 3.3 1.5 0.5
assign (resid   41 and name HN   )(resid   41 and name HB*  ) 3.3 1.5 1.0
assign (resid   42 and name HN   )(resid   42 and name HB*  ) 3.3 1.5 1.0 
assign (resid   43 and name HN   )(resid   43 and name HB*  ) 3.3 1.5 1.0  
assign (resid   45 and name HN   )(resid   45 and name HB1  ) 3.3 1.5 0.5
assign (resid   45 and name HN   )(resid   45 and name HB2  ) 4.0 2.2 0.5 
assign (resid   46 and name HN   )(resid   46 and name HB1  ) 3.3 1.5 0.5 
assign (resid   46 and name HN   )(resid   46 and name HB2  ) 3.3 1.5 0.5
assign (resid   47 and name HN   )(resid   47 and name HB*  ) 3.3 1.5 1.0
assign (resid   49 and name HN   )(resid   49 and name HB*  ) 3.3 1.5 1.0
assign (resid   50 and name HN   )(resid   50 and name HB*  ) 3.3 1.5 1.0
assign (resid   51 and name HN   )(resid   51 and name HB*  ) 3.3 1.5 1.0 
assign (resid   53 and name HN   )(resid   53 and name HB*  ) 3.3 1.5 1.0 
assign (resid   54 and name HN   )(resid   54 and name HB*  ) 3.3 1.5 1.0
assign (resid   55 and name HN   )(resid   55 and name HB*  ) 3.3 1.5 1.0
assign (resid   56 and name HN   )(resid   56 and name HB1  ) 4.0 2.2 0.5
assign (resid   56 and name HN   )(resid   56 and name HB2  ) 2.8 1.0 0.5
assign (resid   58 and name HN   )(resid   58 and name HB   ) 4.0 2.2 0.5
assign (resid   59 and name HN   )(resid   59 and name HB*  ) 3.3 1.5 1.0
assign (resid   62 and name HN   )(resid   62 and name HB1  ) 4.0 2.2 0.5 
assign (resid   62 and name HN   )(resid   62 and name HB2  ) 2.8 1.0 0.5 
assign (resid   64 and name HN   )(resid   64 and name HB   ) 2.8 1.0 0.5
assign (resid   65 and name HN   )(resid   65 and name HB*  ) 2.8 1.0 1.0 
assign (resid   68 and name HN   )(resid   68 and name HB   ) 3.3 1.5 0.5
assign (resid   69 and name HN   )(resid   69 and name HB*  ) 3.3 1.5 1.0
assign (resid   72 and name HN   )(resid   72 and name HB1  ) 3.3 1.5 0.5 
assign (resid   72 and name HN   )(resid   72 and name HB2  ) 3.3 1.5 0.5
assign (resid   73 and name HN   )(resid   73 and name HB*  ) 3.3 1.5 1.0
assign (resid   74 and name HN   )(resid   74 and name HB*  ) 3.3 1.5 1.0
assign (resid   76 and name HN   )(resid   76 and namm HB*  ) 3.3 1.5 1.0
assign (resid   77 and name HN   )(resid   77 and name HB*  ) 3.3 1.5 1.0
assign (resid   78 and name HN   )(resid   78 and name HB   ) 3.3 1.5 0.5
assign (resid   79 and name HN   )(resid   79 and name HB1  ) 2.8 1.5 0.5
assign (resid   79 and name HN   )(resid   79 and name HB2  ) 3.3 1.5 0.5
assign (resid   75 and name HN   )(resid   75 and name HB1  ) 2.8 1.0 0.5 
assign (resid   75 and name HN   )(resid   75 and name HB2  ) 2.8 1.0 0.5 
assign (resid   81 and name HN   )(resid   81 and name HB*  ) 2.8 1.0 1.0 
assign (resid   82 and name HN   )(resid   82 and name HB*  ) 3.3 1.5 1.0 
assign (resid   83 and name HN   )(resid   83 and name HB*  ) 3.3 1.5 1.0
assign (resid   84 and name HN   )(resid   84 and name HB*  ) 3.3 1.5 1.0
assign (resid   85 and name HN   )(resid   85 and name HB*  ) 3.3 1.5 1.0 
assign (resid   86 and name HN   )(resid   86 and name HB*  ) 3.3 1.5 1.0 
! HN(i)-HG(i)
assign (resid    3 and name HN   )(resid    3 and name HG2* ) 4.0 2.2 1.0
assign (resid    6 and name HN   )(resid    6 and name HG*  ) 3.3 1.5 1.0 
assign (resid    7 and name HN   )(resid    7 and name HG2* ) 3.3 1.5 1.0 
assign (resid   10 and name HN   )(resid   10 and name HG   ) 3.3 1.5 1.0 
assign (resid   15 and name HN   )(resid   15 and name HG1* ) 4.0 2.2 1.0
assign (resid   15 and name HN   )(resid   15 and name HG2* ) 2.8 1.0 1.0 
assign (resid   16 and name HN   )(resid   16 and name HG*  ) 3.3 1.5 1.0 
assign (resid   20 and name HN   )(resid   20 and name HG*  ) 4.0 2.2 1.0 
assign (resid   21 and name HN   )(resid   21 and name HG2* ) 3.3 1.5 1.0
assign (resid   24 and name HN   )(resid   24 and name HG2* ) 4.0 2.2 1.0 
assign (resid   31 and name HN   )(resid   31 and name HG   ) 3.3 1.5 0.5
assign (resid   33 and name HN   )(resid   33 and name HG   ) 3.3 1.5 1.0 
assign (resid   36 and name HN   )(resid   36 and name HG*  ) 3.3 1.5 1.0
assign (resid   45 and name HN   )(resid   45 and name HG   ) 4.0 2.2 0.5 
assign (resid   58 and name HN   )(resid   58 and name HG1* ) 3.3 1.5 1.0
assign (resid   58 and name HN   )(resid   58 and name HG2* ) 3.3 1.5 1.0
assign (resid   64 and name HN   )(resid   64 and name HG2* ) 5.0 1.0 1.0  
assign (resid   64 and name HN   )(resid   64 and name HG1* ) 3.3 1.5 1.0 
assign (resid   68 and name HN   )(resid   68 and name HG1* ) 3.3 1.5 1.0
assign (resid   70 and name HN   )(resid   70 and name HG2* ) 4.0 2.2 1.0
assign (resid   84 and name HN   )(resid   84 and name HG*  ) 3.3 1.5 1.0 
! HA(i)-HB(i)
assign (resid    7 and name HA   )(resid   7  and name HB   ) 4.0 2.2 0.5
assign (resid    9 and name HA   )(resid   9  and name HB1  ) 3.3 1.5 0.5
assign (resid    9 and name HA   )(resid   9  and name HB2  ) 2.8 1.0 0.5 
assign (resid   11 and name HA   )(resid   11 and name HB1  ) 4.0 4.0 0.5
assign (resid   11 and name HA   )(resid   11 and name HB2  ) 2.8 1.0 0.5
assign (resid   12 and name HA   )(resid   12 and name HB1  ) 4.0 2.2 0.5
assign (resid   12 and name HA   )(resid   12 and nmae HB2  ) 2.8 1.0 0.5
assign (resid   14 and name HA   )(resid   14 and name HB1  ) 2.8 1.0 0.5
assign (resid   14 and name HA   )(resid   14 and name HB2  ) 4.0 4.0 0.5
assign (resid   17 and name HA   )(resid   17 and name HB1  ) 2.8 1.0 0.5
assign (resid   17 and name HA   )(resid   17 and name HB2  ) 4.0 2.2 0.5
assign (resid   21 and name HA   )(resid   21 and name HB   ) 2.8 1.0 0.5
assign (resid   30 and name HA   )(resid   30 and name HB1  ) 2.8 1.0 0.5
assign (resid   30 and name HA   )(resid   30 and name HB2  ) 2.8 1.0 0.5
assign (resid   32 and name HA   )(resid   32 and name HB1  ) 2.8 1.0 0.5
assign (resid   32 and name HA   )(resid   32 and name HB2  ) 4.0 2.2 0.5
assign (resid   35 and name HA   )(resid   35 and name HB1  ) 2.8 1.0 0.5
assign (resid   35 and name HA   )(resid   35 and name HB2  ) 4.0 2.2 0.5 
!assign (resid   37 and name HA   )(resid   37 and name HB1  ) 4.0 4.0 0.5 
assign (resid   40 and name HA   )(resid   40 and name HB1  ) 4.0 2.2 0.5 
assign (resid   40 and name HA   )(resid   40 and name HB2  ) 2.8 1.0 0.5 
assign (resid   45 and name HA   )(resid   45 and name HB1  ) 2.8 1.0 0.5
assign (resid   45 and name HA   )(resid   45 and name HB2  ) 2.8 1.0 0.5
assign (resid   56 and name HA   )(resid   56 and name HB1  ) 2.8 1.0 0.5
assign (resid   56 and name HA   )(resid   56 and name HB2  ) 4.0 2.2 0.5
assign (resid   58 and name HA   )(resid   58 and name HB   ) 2.8 1.0 0.5 
assign (resid   62 and name HA   )(resid   62 and name HB1  ) 2.8 1.0 0.5
assign (resid   62 and name HA   )(resid   62 and name HB2  ) 4.0 2.2 0.5 
assign (resid   72 and name HA   )(resid   72 and name HB1  ) 4.0 2.2 0.5 
assign (resid   72 and name HA   )(resid   72 and name HB2  ) 2.8 1.0 0.5 
assign (resid   75 and name HA   )(resid   75 and name HB1  ) 4.0 2.2 0.5 
assign (resid   75 and name HA   )(resid   75 and name HB2  ) 2.8 1.0 0.5 
assign (resid   79 and name HA   )(resid   79 and name HB2  ) 2.8 1.0 0.5
! HA(i)-HG(i)
assign (resid    3 and name HA   )(resid    3 and name HG2*  ) 3.3 1.5 0.5
assign (resid    7 and name HA   )(resid    7 and name HG2*  ) 2.8 1.0 1.0
assign (resid   15 and name HA   )(resid   15 and name HG2*  ) 3.3 1.5 1.0 
assign (resid   15 and name HA   )(resid   15 and name HG1*  ) 2.8 1.0 1.0 
assign (resid   21 and name HA   )(resid   21 and name HG2*  ) 4.0 2.2 1.0
assign (resid   24 and name HA   )(resid   24 and name HG2*  ) 4.0 2.2 1.0
assign (resid   48 and name HA   )(resid   48 and name HG2*  ) 2.8 1.0 1.0
assign (resid   58 and name HA   )(resid   58 and name HG1*  ) 4.0 2.2 1.0
assign (resid   58 and name HA   )(resid   58 and name HG2*  ) 3.3 1.5 1.0
assign (resid   64 and name HA   )(resid   64 and name HG2*  ) 2.8 1.0 1.0 
assign (resid   70 and name HA   )(resid   70 and name HG2*  ) 2.8 1.0 1.0
assign (resid   78 and name HA   )(resid   78 and name HG2*  ) 2.8 1.0 1.0
! HA(i)-HD(i)
assign (resid   14 and name HA   )(resid   14 and name HD1*  ) 4.0 2.2 0.5
assign (resid   14 and name HA   )(resid   14 and name HD2*  ) 3.3 1.5 0.5
assign (resid   45 and name HA   )(resid   45 and name HD1*  ) 4.0 2.2 1.0
assign (resid   45 and name HA   )(resid   45 and name HD2*  ) 4.0 2.2 1.0
assign (resid   52 and name HA   )(resid   52 and name HD1*  ) 3.3 1.5 1.5
assign (resid   52 and name HA   )(resid   52 and name HD2*  ) 4.0 2.2 1.5
! Aromatics
! Phe 35 (2,6) protons
assign (resid   35 and name HD*  )(resid   35 and name HA   ) 2.8 1.0 2.8   
assign (resid   35 and name HD*  )(resid   35 and name HB2  ) 3.3 1.5 2.8 
assign (resid   35 and name HD*  )(resid   35 and name HB1  ) 3.3 1.5 2.8
assign (resid   35 and name HD*  )(resid   35 and name HN   ) 3.3 1.5 2.8
! Tyr 40 (2,6) protons
assign (resid   40 and name HD*  )(resid   40 and name HA   ) 3.3 1.5 2.8 
assign (resid   40 and name HD*  )(resid   40 and name HN   ) 3.3 1.5 2.8 
assign (resid   40 and name HD*  )(resid   40 and name HB1  ) 2.8 1.0 2.8 
assign (resid   40 and name HD*  )(resid   40 and name HB2  ) 2.8 1.0 2.8 
set message=on echo=on end
! phi restraints
assign (resid   1 and name c )   (resid   2 and name n )
       (resid   2 and name ca)   (resid   2 and name c )  1.0 -90 60 2 
assign (resid   2 and name c )   (resid   3 and name n )
       (resid   3 and name ca)   (resid   3 and name c )  1.0 -120 40 2 
assign (resid   3 and name c )   (resid   4 and name n )
       (resid   4 and name ca)   (resid   4 and name c )  1.0 -120 40 2 
assign (resid   4 and name c )   (resid   5 and name n )
       (resid   5 and name ca)   (resid   5 and name c )  1.0 -120 30 2 
assign (resid   5 and name c )   (resid   6 and name n )
       (resid   6 and name ca)   (resid   6 and name c )  1.0 -90 40 2
assign (resid   6 and name c )   (resid   7 and name n )
       (resid   7 and name ca)   (resid   7 and name c )  1.0 -60 30 2
assign (resid   7 and name c )   (resid   8 and name n )
       (resid   8 and name ca)   (resid   8 and name c )  1.0 -60 30 2
assign (resid   8 and name c )   (resid   9 and name n )
       (resid   9 and name ca)   (resid   9 and name c )  1.0 -60 30 2 
assign (resid   9 and name c )   (resid  10 and name n )
       (resid  10 and name ca)   (resid  10 and name c )  1.0 -60 30 2
assign (resid  10 and name c )   (resid  11 and name n )
       (resid  11 and name ca)   (resid  11 and name c )  1.0 -60 30 2
assign (resid  11 and name c )   (resid  12 and name n )
       (resid  12 and name ca)   (resid  12 and name c )  1.0 -60 30 2
assign (resid  12 and name c )   (resid  13 and name n )
       (resid  13 and name ca)   (resid  13 and name c )  1.0 -60 30 2
assign (resid  13 and name c )   (resid  14 and name n )
       (resid  14 and name ca)   (resid  14 and name c )  1.0 -60 30 2
assign (resid  14 and name c )   (resid  15 and name n )
       (resid  15 and name ca)   (resid  15 and name c )  1.0 -60 30 2
assign (resid  15 and name c )   (resid  16 and name n )
       (resid  16 and name ca)   (resid  16 and name c )  1.0 -60 30 2
assign (resid  16 and name c )   (resid  17 and name n )
       (resid  17 and name ca)   (resid  17 and name c )  1.0 -60 30 2
assign (resid  17 and name c )   (resid  18 and name n )
       (resid  18 and name ca)   (resid  18 and name c )  1.0 -90 60 2
assign (resid  21 and name c )   (resid  22 and name n )
       (resid  22 and name ca)   (resid  22 and name c )  1.0 -120 30 2
assign (resid  24 and name c )   (resid  25 and name n )
       (resid  25 and name ca)   (resid  25 and name c )  1.0 -120 30 2 
assign (resid  25 and name c )   (resid  26 and name n )
       (resid  26 and name ca)   (resid  26 and name c )  1.0 -90 60 2 
assign (resid  26 and name c )   (resid  27 and name n )
       (resid  27 and name ca)   (resid  27 and name c )  1.0 -90 60 2 
assign (resid  34 and name c )   (resid  35 and name n )
       (resid  35 and name ca)   (resid  35 and name c )  1.0 -60 40 2 
assign (resid  35 and name c )   (resid  36 and name n )
       (resid  36 and name ca)   (resid  36 and name c )  1.0 -60 40 2 
assign (resid  37 and name c )   (resid  38 and name n )
       (resid  38 and name ca)   (resid  38 and name c )  1.0 -90 60 2
assign (resid  39 and name c )   (resid  40 and name n )
       (resid  40 and name ca)   (resid  40 and name c )  1.0 -120 60 2
assign (resid  40 and name c )   (resid  41 and name n )
       (resid  41 and name ca)   (resid  41 and name c )  1.0 -120 60 2
assign (resid  42 and name c )   (resid  43 and name n )
       (resid  43 and name ca)   (resid  43 and name c )  1.0 -60 30 2
assign (resid  43 and name c )   (resid  44 and name n )
       (resid  44 and name ca)   (resid  44 and name c )  1.0 -60 30 2
assign (resid  44 and name c )   (resid  45 and name n )
       (resid  45 and name ca)   (resid  45 and name c )  1.0 -60 30 2
assign (resid  45 and name c )   (resid  46 and name n )
       (resid  46 and name ca)   (resid  46 and name c )  1.0 -60 30 2
assign (resid  46 and name c )   (resid  47 and name n )
       (resid  47 and name ca)   (resid  47 and name c )  1.0 -60 30 2
assign (resid  47 and name c )   (resid  48 and name n )
       (resid  48 and name ca)   (resid  48 and name c )  1.0 -60 30 2
assign (resid  48 and name c )   (resid  49 and name n )
       (resid  49 and name ca)   (resid  49 and name c )  1.0 -60 30 2
assign (resid  49 and name c )   (resid  50 and name n )  
       (resid  50 and name ca)   (resid  50 and name c )  1.0 -60 30 2
assign (resid  50 and name c )   (resid  51 and name n )
       (resid  51 and name ca)   (resid  51 and name c )  1.0 -60 30 2 
assign (resid  51 and name c )   (resid  52 and name n )
       (resid  52 and name ca)   (resid  52 and name c )  1.0 -60 30 2
assign (resid  52 and name c )   (resid  53 and name n ) 
       (resid  53 and name ca)   (resid  53 and name c )  1.0 -60 30 2
assign (resid  53 and name c )   (resid  54 and name n )
       (resid  54 and name ca)   (resid  54 and name c )  1.0 -60 40 2
assign (resid  54 and name c )   (resid  55 and name n )
       (resid  55 and name ca)   (resid  55 and name c )  1.0 -60 40 2
assign (resid  55 and name c )   (resid  56 and name n )
       (resid  56 and name ca)   (resid  56 and name c )  1.0 -90 60 2
assign (resid  57 and name c )   (resid  58 and name n )
       (resid  58 and name ca)   (resid  58 and name c )  1.0 -120 60 2
assign (resid  58 and name c )   (resid  59 and name n )
       (resid  59 and name ca)   (resid  59 and name c )  1.0 -120 60 2
assign (resid  59 and name c )   (resid  60 and name n )
       (resid  60 and name ca)   (resid  60 and name c )  1.0 -120 40 2
assign (resid  61 and name c )   (resid  62 and name n )
       (resid  62 and name ca)   (resid  62 and name c )  1.0 -60 40 2
assign (resid  63 and name c )   (resid  64 and name n )
       (resid  64 and name ca)   (resid  64 and name c )  1.0 -60 40 2
assign (resid  64 and name c )   (resid  65 and name n )
       (resid  65 and name ca)   (resid  65 and name c )  1.0 -60 40 2
assign (resid  66 and name c )   (resid  67 and name n )
       (resid  67 and name ca)   (resid  67 and name c )  1.0 -120 40 2 
assign (resid  67 and name c )   (resid  68 and name n )
       (resid  68 and name ca)   (resid  68 and name c )  1.0 -120 80 2
assign (resid  68 and name c )   (resid  69 and name n ) 
       (resid  69 and name ca)   (resid  69 and name c )  1.0 -120 40 2
assign (resid  69 and name c )   (resid  70 and name n )
       (resid  70 and name ca)   (resid  70 and name c )  1.0 -100 40 2
assign (resid  71 and name c )   (resid  72 and name n )
       (resid  72 and name ca)   (resid  72 and name c )  1.0 -60 30 2
assign (resid  72 and name c )   (resid  73 and name n )
       (resid  73 and name ca)   (resid  73 and name c )  1.0 -60 30 2
assign (resid  73 and name c )   (resid  74 and name n )
       (resid  74 and name ca)   (resid  74 and name c )  1.0 -60 30 2
assign (resid  74 and name c )   (resid  75 and name n )
       (resid  75 and name ca)   (resid  75 and name c )  1.0 -60 30 2
assign (resid  75 and name c )   (resid  76 and name n )
       (resid  76 and name ca)   (resid  76 and name c )  1.0 -60 30 2
assign (resid  76 and name c )   (resid  77 and name n )
       (resid  77 and name ca)   (resid  77 and name c )  1.0 -60 30 2
assign (resid  77 and name c )   (resid  78 and name n )
       (resid  78 and name ca)   (resid  78 and name c )  1.0 -60 30 2
assign (resid  79 and name c )   (resid  80 and name n ) 
       (resid  80 and name ca)   (resid  80 and name c )  1.0 -60 30 2
assign (resid  80 and name c )   (resid  81 and name n )
       (resid  81 and name ca)   (resid  81 and name c )  1.0 -60 30 2
assign (resid  81 and name c )   (resid  82 and name n )
       (resid  82 and name ca)   (resid  82 and name c )  1.0 -60 30 2
assign (resid  82 and name c )   (resid  83 and name n )
       (resid  83 and name ca)   (resid  83 and name c )  1.0 -60 30 2
assign (resid  83 and name c )   (resid  84 and name n )
       (resid  84 and name ca)   (resid  84 and name c )  1.0 -80 50 2
assign (resid  84 and name c )   (resid  85 and name n )
       (resid  85 and name ca)   (resid  85 and name c )  1.0 -80 50 2
! x1 values.
assign (resid   3 and name n )   (resid   3 and name ca )
       (resid   3 and name cb)   (resid   3 and name og1)  1.0 -60 40 2
assign (resid   7 and name n )   (resid   7 and name ca )
       (resid   7 and name cb)   (resid   7 and name og1)  1.0 -60 40 2
assign (resid   9 and name n )   (resid   9 and name ca )  
       (resid   9 and name cb)   (resid   9 and name cg )  1.0 180 40 2
assign (resid  11 and name n )   (resid  11 and name ca )  
       (resid  11 and name cb)   (resid  11 and name cg )  1.0 180 40 2
assign (resid  14 and name n )   (resid  14 and name ca )
       (resid  14 and name cb)   (resid  14 and name cg )  1.0 -60 40 2
assign (resid  15 and name n )   (resid  15 and name ca )
       (resid  15 and name cb)   (resid  15 and name cg1)  1.0 180 40 2 
assign (resid  17 and name n )   (resid  17 and name ca )
       (resid  17 and name cb)   (resid  17 and name sg )  1.0 -60 40 2
assign (resid  21 and name n )   (resid  21 and name ca )
       (resid  21 and name cb)   (resid  21 and name og1)  1.0 180 40 2
assign (resid  24 and name n )   (resid  24 and name ca )
       (resid  24 and name cb)   (resid  24 and name og1)  1.0 -60 40 2
assign (resid  30 and name n )   (resid  30 and name ca )
       (resid  30 and name cb)   (resid  30 and name cg )  1.0 60 40 2
assign (resid  31 and name n )   (resid  31 and name ca )
       (resid  31 and name cb)   (resid  31 and name cg )  1.0 -60 40 2
assign (resid  32 and name n )   (resid  32 and name ca )
       (resid  32 and name cb)   (resid  32 and name cg )  1.0 -60 40 2
assign (resid  34 and name n )   (resid  34 and name ca )
       (resid  34 and name cb)   (resid  34 and name cg )  1.0 180 50 2
assign (resid  35 and name n )   (resid  35 and name ca )
       (resid  35 and name cb)   (resid  35 and name cg )  1.0 -60 40 2
assign (resid  37 and name n )   (resid  37 and name ca )
       (resid  37 and name cb)   (resid  37 and name cg )  1.0 180 40 2
assign (resid  41 and name n )   (resid  41 and name ca )
       (resid  41 and name cb)   (resid  41 and name cg )  1.0 60 40 2
assign (resid  45 and name n )   (resid  45 and name ca )
       (resid  45 and name cb)   (resid  45 and name cg )  1.0 60 40 2
assign (resid  46 and name n )   (resid  46 and name ca )
       (resid  46 and name cb)   (resid  46 and name cg )  1.0 180 50 2
assign (resid  48 and name n )   (resid  48 and name ca )
       (resid  48 and name cb)   (resid  48 and name og1)  1.0 -60 50 2
assign (resid  56 and name n )   (resid  56 and name ca )
       (resid  56 and name cb)   (resid  56 and name cg )  1.0 -60 30 2
assign (resid  58 and name n )   (resid  58 and name ca )
       (resid  58 and name cb)   (resid  58 and name cg1)  1.0 60 40 2
assign (resid  62 and name n )   (resid  62 and name ca )
       (resid  62 and name cb)   (resid  62 and name cg )  1.0 -60 40 2
assign (resid  64 and name n )   (resid  64 and name ca )
       (resid  64 and name cb)   (resid  64 and name cg1)  1.0 60 40 2
assign (resid  68 and name n )   (resid  68 and name ca )
       (resid  68 and name cb)   (resid  68 and name cg1)  1.0 60 20 2
assign (resid  70 and name n )   (resid  70 and name ca )
       (resid  70 and name cb)   (resid  70 and name og1)  1.0 60 40 2
assign (resid  72 and name n )   (resid  72 and name ca )
       (resid  72 and name cb)   (resid  72 and name cg )  1.0 180 40 2
assign (resid  75 and name n )   (resid  75 and name ca )
       (resid  75 and name cb)   (resid  75 and name cg )  1.0 180 40 2
assign (resid  78 and name n )   (resid  78 and name ca )
       (resid  78 and name cb)   (resid  78 and name cg1)  1.0 -60 40 2
assign (resid  79 and name n )   (resid  79 and name ca )
       (resid  79 and name cb)   (resid  79 and name cg )  1.0 180 40 2
! Chi 2
assign (resid  14 and name ca)   (resid  14 and name cb )
       (resid  14 and name cg)   (resid  14 and name cd1)  1.0 180 50 2
assign (resid  31 and name ca)   (resid  31 and name cb )
       (resid  31 and name cg)   (resid  31 and name cd1)  1.0 180 50 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          3H        MET   1  -0.852   6.772   9.662
    2   2H    MET   1          2H        MET   1  -0.226   5.202   9.491
    3   3H    MET   1          1H        MET   1   0.020   6.064  10.934
    4    HA   MET   1           HA       MET   1   1.576   7.477  10.008
    5   1HB   MET   1          2HB       MET   1   2.061   4.841   9.979
    6   2HB   MET   1          1HB       MET   1   2.192   5.150   8.246
    7   1HG   MET   1          2HG       MET   1   3.598   6.987  10.153
    8   2HG   MET   1          1HG       MET   1   4.311   5.412   9.803
    9   1HE   MET   1          3HE       MET   1   6.000   5.276   8.493
   10   2HE   MET   1          2HE       MET   1   6.477   6.246   7.102
   11   3HE   MET   1          1HE       MET   1   6.512   6.956   8.714
   12    H    ALA   2           H        ALA   2  -0.316   5.802   7.539
   13    HA   ALA   2           HA       ALA   2  -0.059   8.160   5.803
   14   1HB   ALA   2          3HB       ALA   2   0.572   5.320   4.985
   15   2HB   ALA   2          2HB       ALA   2   0.221   6.602   3.826
   16   3HB   ALA   2          1HB       ALA   2   1.626   6.730   4.884
   17    H    THR   3           H        THR   3  -1.773   8.426   4.337
   18    HA   THR   3           HA       THR   3  -3.950   6.502   4.284
   19    HB   THR   3           HB       THR   3  -4.777   9.233   5.152
   20    HG1  THR   3           HG1      THR   3  -4.388   8.763   7.261
   21   1HG2  THR   3          2HG2      THR   3  -5.767   6.397   5.404
   22   2HG2  THR   3          1HG2      THR   3  -6.429   7.684   6.412
   23   3HG2  THR   3          3HG2      THR   3  -6.566   7.780   4.657
   24    H    LEU   4           H        LEU   4  -2.165   7.655   2.347
   25    HA   LEU   4           HA       LEU   4  -3.699   9.630   0.862
   26   1HB   LEU   4          2HB       LEU   4  -1.095   8.197   0.323
   27   2HB   LEU   4          1HB       LEU   4  -1.849   9.278  -0.850
   28    HG   LEU   4           HG       LEU   4  -1.458  10.221   1.972
   29   1HD1  LEU   4          2HD1      LEU   4   0.695   9.218   0.640
   30   2HD1  LEU   4          1HD1      LEU   4   0.688  10.874   0.035
   31   3HD1  LEU   4          3HD1      LEU   4   0.789  10.569   1.768
   32   1HD2  LEU   4          1HD2      LEU   4  -2.667  11.356  -0.136
   33   2HD2  LEU   4          3HD2      LEU   4  -1.776  12.312   1.048
   34   3HD2  LEU   4          2HD2      LEU   4  -1.014  11.867  -0.479
   35    H    LEU   5           H        LEU   5  -2.354   6.437  -0.013
   36    HA   LEU   5           HA       LEU   5  -4.448   6.127  -2.029
   37   1HB   LEU   5          2HB       LEU   5  -1.797   5.377  -1.976
   38   2HB   LEU   5          1HB       LEU   5  -2.619   3.862  -1.610
   39    HG   LEU   5           HG       LEU   5  -4.073   4.204  -3.607
   40   1HD1  LEU   5          1HD1      LEU   5  -2.361   6.677  -3.838
   41   2HD1  LEU   5          3HD1      LEU   5  -3.110   5.957  -5.262
   42   3HD1  LEU   5          2HD1      LEU   5  -4.116   6.542  -3.939
   43   1HD2  LEU   5          1HD2      LEU   5  -1.664   3.101  -3.555
   44   2HD2  LEU   5          3HD2      LEU   5  -2.498   3.346  -5.090
   45   3HD2  LEU   5          2HD2      LEU   5  -1.247   4.477  -4.576
   46    H    THR   6           H        THR   6  -5.459   3.883  -2.190
   47    HA   THR   6           HA       THR   6  -6.088   2.843   0.505
   48    HB   THR   6           HB       THR   6  -8.444   2.439  -0.601
   49    HG1  THR   6           HG1      THR   6  -8.175   3.242  -2.586
   50   1HG2  THR   6          1HG2      THR   6  -7.807   3.898   1.386
   51   2HG2  THR   6          3HG2      THR   6  -7.678   5.238   0.247
   52   3HG2  THR   6          2HG2      THR   6  -9.225   4.424   0.481
   53    H    THR   7           H        THR   7  -7.082   0.697   0.479
   54    HA   THR   7           HA       THR   7  -5.563  -1.182  -0.963
   55    HB   THR   7           HB       THR   7  -8.274  -1.630   0.311
   56    HG1  THR   7           HG1      THR   7  -5.700  -1.902   1.459
   57   1HG2  THR   7          2HG2      THR   7  -5.998  -3.410  -0.542
   58   2HG2  THR   7          1HG2      THR   7  -7.128  -3.916   0.713
   59   3HG2  THR   7          3HG2      THR   7  -7.716  -3.563  -0.912
   60    H    ASP   8           H        ASP   8  -8.862   0.035  -1.457
   61    HA   ASP   8           HA       ASP   8  -9.535  -1.594  -3.658
   62   1HB   ASP   8          2HB       ASP   8 -11.163   0.222  -4.224
   63   2HB   ASP   8          1HB       ASP   8 -11.251  -0.296  -2.540
   64    H    ASP   9           H        ASP   9  -7.589   1.292  -3.362
   65    HA   ASP   9           HA       ASP   9  -7.519   2.065  -6.079
   66   1HB   ASP   9          2HB       ASP   9  -6.593   3.220  -3.864
   67   2HB   ASP   9          1HB       ASP   9  -5.100   2.434  -4.376
   68    H    LEU  10           H        LEU  10  -5.333  -0.008  -4.147
   69    HA   LEU  10           HA       LEU  10  -3.564  -0.589  -6.273
   70   1HB   LEU  10          2HB       LEU  10  -2.514  -2.077  -4.846
   71   2HB   LEU  10          1HB       LEU  10  -3.356  -1.067  -3.682
   72    HG   LEU  10           HG       LEU  10  -5.273  -2.916  -4.070
   73   1HD1  LEU  10          3HD1      LEU  10  -2.679  -4.151  -4.926
   74   2HD1  LEU  10          2HD1      LEU  10  -3.855  -5.137  -4.057
   75   3HD1  LEU  10          1HD1      LEU  10  -4.296  -4.384  -5.590
   76   1HD2  LEU  10          1HD2      LEU  10  -4.213  -2.305  -1.910
   77   2HD2  LEU  10          3HD2      LEU  10  -4.435  -4.050  -2.061
   78   3HD2  LEU  10          2HD2      LEU  10  -2.840  -3.336  -2.310
   79    H    ARG  11           H        ARG  11  -6.632  -1.956  -5.321
   80    HA   ARG  11           HA       ARG  11  -6.589  -4.347  -6.794
   81   1HB   ARG  11          2HB       ARG  11  -8.394  -3.186  -5.138
   82   2HB   ARG  11          1HB       ARG  11  -9.166  -2.886  -6.693
   83   1HG   ARG  11          2HG       ARG  11  -8.422  -5.479  -7.023
   84   2HG   ARG  11          1HG       ARG  11  -8.696  -5.451  -5.282
   85   1HD   ARG  11          2HD       ARG  11 -10.796  -6.014  -6.276
   86   2HD   ARG  11          1HD       ARG  11 -10.924  -4.334  -5.764
   87    HE   ARG  11           HE       ARG  11 -10.052  -4.619  -8.502
   88   1HH1  ARG  11          2HH1      ARG  11 -12.166  -2.889  -6.725
   89   2HH1  ARG  11          1HH1      ARG  11 -13.549  -3.078  -7.751
   90   1HH2  ARG  11          1HH2      ARG  11 -12.110  -5.572  -9.682
   91   2HH2  ARG  11          2HH2      ARG  11 -13.516  -4.596  -9.425
   92    H    ARG  12           H        ARG  12  -7.854  -1.145  -7.711
   93    HA   ARG  12           HA       ARG  12  -8.645  -1.825 -10.322
   94   1HB   ARG  12          2HB       ARG  12  -8.034   0.712  -8.890
   95   2HB   ARG  12          1HB       ARG  12  -8.065   0.767 -10.654
   96   1HG   ARG  12          2HG       ARG  12 -10.312  -0.537 -10.418
   97   2HG   ARG  12          1HG       ARG  12 -10.285   0.043  -8.753
   98   1HD   ARG  12          2HD       ARG  12 -11.519   1.654 -10.043
   99   2HD   ARG  12          1HD       ARG  12  -9.959   2.375  -9.661
  100    HE   ARG  12           HE       ARG  12  -9.338   1.517 -12.023
  101   1HH1  ARG  12          2HH1      ARG  12 -12.036   0.578 -12.812
  102   2HH1  ARG  12          1HH1      ARG  12 -12.725   1.964 -13.589
  103   1HH2  ARG  12          1HH2      ARG  12 -10.423   4.187 -12.256
  104   2HH2  ARG  12          2HH2      ARG  12 -11.812   4.007 -13.274
  105    H    ALA  13           H        ALA  13  -5.565  -0.547  -9.101
  106    HA   ALA  13           HA       ALA  13  -4.283  -0.198 -11.580
  107   1HB   ALA  13          1HB       ALA  13  -3.521   0.497  -9.191
  108   2HB   ALA  13          3HB       ALA  13  -2.784  -1.104  -9.140
  109   3HB   ALA  13          2HB       ALA  13  -2.295   0.052 -10.379
  110    H    LEU  14           H        LEU  14  -4.827  -3.056  -9.636
  111    HA   LEU  14           HA       LEU  14  -2.987  -4.683 -11.191
  112   1HB   LEU  14          2HB       LEU  14  -4.714  -5.098  -8.800
  113   2HB   LEU  14          1HB       LEU  14  -4.308  -6.515  -9.770
  114    HG   LEU  14           HG       LEU  14  -2.057  -4.669  -9.177
  115   1HD1  LEU  14          3HD1      LEU  14  -3.697  -5.976  -7.071
  116   2HD1  LEU  14          2HD1      LEU  14  -1.950  -6.172  -6.927
  117   3HD1  LEU  14          1HD1      LEU  14  -2.654  -4.557  -6.968
  118   1HD2  LEU  14          1HD2      LEU  14  -1.887  -6.851 -10.420
  119   2HD2  LEU  14          3HD2      LEU  14  -0.849  -6.769  -8.995
  120   3HD2  LEU  14          2HD2      LEU  14  -2.359  -7.679  -8.935
  121    H    VAL  15           H        VAL  15  -6.339  -3.810 -11.282
  122    HA   VAL  15           HA       VAL  15  -7.260  -6.101 -12.742
  123    HB   VAL  15           HB       VAL  15  -8.495  -3.339 -12.595
  124   1HG1  VAL  15          2HG1      VAL  15  -9.521  -6.071 -13.391
  125   2HG1  VAL  15          1HG1      VAL  15 -10.599  -4.743 -12.964
  126   3HG1  VAL  15          3HG1      VAL  15  -9.520  -4.592 -14.351
  127   1HG2  VAL  15          2HG2      VAL  15  -8.063  -5.246 -10.516
  128   2HG2  VAL  15          1HG2      VAL  15  -9.037  -3.779 -10.450
  129   3HG2  VAL  15          3HG2      VAL  15  -9.777  -5.307 -10.923
  130    H    GLU  16           H        GLU  16  -5.760  -3.055 -13.565
  131    HA   GLU  16           HA       GLU  16  -6.494  -2.790 -16.247
  132   1HB   GLU  16          2HB       GLU  16  -4.100  -1.965 -14.655
  133   2HB   GLU  16          1HB       GLU  16  -4.055  -1.801 -16.410
  134   1HG   GLU  16          2HG       GLU  16  -6.372  -0.657 -16.143
  135   2HG   GLU  16          1HG       GLU  16  -5.924  -0.485 -14.446
  136    H    CYS  17           H        CYS  17  -4.184  -4.934 -14.723
  137    HA   CYS  17           HA       CYS  17  -2.956  -5.775 -17.199
  138   1HB   CYS  17          2HB       CYS  17  -2.867  -6.948 -14.409
  139   2HB   CYS  17          1HB       CYS  17  -1.922  -7.546 -15.773
  140    HG   CYS  17           HG       CYS  17  -1.341  -4.993 -14.190
  141    H    ALA  18           H        ALA  18  -5.393  -7.039 -14.967
  142    HA   ALA  18           HA       ALA  18  -6.325  -8.845 -17.103
  143   1HB   ALA  18          1HB       ALA  18  -4.901 -10.080 -15.386
  144   2HB   ALA  18          3HB       ALA  18  -6.169  -9.718 -14.215
  145   3HB   ALA  18          2HB       ALA  18  -6.531 -10.706 -15.631
  146    H    GLY  19           H        GLY  19  -8.026  -7.378 -17.453
  147   1HA   GLY  19          2HA       GLY  19  -9.752  -6.436 -15.393
  148   2HA   GLY  19          1HA       GLY  19 -10.102  -6.427 -17.119
  149    H    GLU  20           H        GLU  20 -10.229  -8.935 -17.898
  150    HA   GLU  20           HA       GLU  20 -12.599  -9.940 -16.554
  151   1HB   GLU  20          2HB       GLU  20 -11.128 -10.660 -19.076
  152   2HB   GLU  20          1HB       GLU  20 -12.349 -11.746 -18.410
  153   1HG   GLU  20          2HG       GLU  20 -12.835  -8.812 -18.990
  154   2HG   GLU  20          1HG       GLU  20 -13.262 -10.118 -20.095
  155    H    THR  21           H        THR  21 -12.766 -11.752 -15.343
  156    HA   THR  21           HA       THR  21 -10.944 -13.892 -15.271
  157    HB   THR  21           HB       THR  21  -9.321 -12.406 -14.296
  158    HG1  THR  21           HG1      THR  21  -9.047 -14.116 -13.108
  159   1HG2  THR  21          1HG2      THR  21 -11.078 -10.705 -13.590
  160   2HG2  THR  21          3HG2      THR  21 -11.347 -11.706 -12.163
  161   3HG2  THR  21          2HG2      THR  21  -9.769 -10.967 -12.438
  162    H    ASP  22           H        ASP  22 -12.245 -15.474 -14.674
  163    HA   ASP  22           HA       ASP  22 -14.429 -14.907 -12.783
  164   1HB   ASP  22          2HB       ASP  22 -13.950 -17.187 -14.710
  165   2HB   ASP  22          1HB       ASP  22 -15.259 -17.178 -13.527
  166    H    GLY  23           H        GLY  23 -11.627 -15.214 -11.949
  167   1HA   GLY  23          2HA       GLY  23 -12.053 -17.359  -9.987
  168   2HA   GLY  23          1HA       GLY  23 -10.578 -17.398 -10.952
  169    H    THR  24           H        THR  24 -12.400 -15.548  -8.575
  170    HA   THR  24           HA       THR  24  -9.973 -14.658  -7.306
  171    HB   THR  24           HB       THR  24 -11.724 -12.370  -8.034
  172    HG1  THR  24           HG1      THR  24 -11.500 -13.188 -10.045
  173   1HG2  THR  24          3HG2      THR  24  -9.690 -12.264  -6.542
  174   2HG2  THR  24          2HG2      THR  24  -8.713 -12.670  -7.953
  175   3HG2  THR  24          1HG2      THR  24  -9.639 -11.169  -7.923
  176    H    ASP  25           H        ASP  25 -10.335 -14.567  -5.210
  177    HA   ASP  25           HA       ASP  25 -13.075 -14.739  -4.220
  178   1HB   ASP  25          2HB       ASP  25 -10.369 -15.323  -3.100
  179   2HB   ASP  25          1HB       ASP  25 -11.665 -14.917  -1.973
  180    H    LEU  26           H        LEU  26 -13.557 -12.514  -4.823
  181    HA   LEU  26           HA       LEU  26 -12.290 -10.451  -3.158
  182   1HB   LEU  26          2HB       LEU  26 -13.863 -10.463  -5.681
  183   2HB   LEU  26          1HB       LEU  26 -14.101  -9.076  -4.623
  184    HG   LEU  26           HG       LEU  26 -12.292  -8.666  -6.254
  185   1HD1  LEU  26          3HD1      LEU  26 -12.037  -8.503  -3.366
  186   2HD1  LEU  26          2HD1      LEU  26 -10.455  -8.660  -4.127
  187   3HD1  LEU  26          1HD1      LEU  26 -11.533  -7.349  -4.599
  188   1HD2  LEU  26          2HD2      LEU  26 -11.668 -11.241  -6.122
  189   2HD2  LEU  26          1HD2      LEU  26 -10.436 -10.036  -6.503
  190   3HD2  LEU  26          3HD2      LEU  26 -10.561 -10.683  -4.868
  191    H    SER  27           H        SER  27 -13.877 -12.369  -1.807
  192    HA   SER  27           HA       SER  27 -16.108 -10.656  -0.897
  193   1HB   SER  27          2HB       SER  27 -16.675 -12.856  -2.233
  194   2HB   SER  27          1HB       SER  27 -16.302 -13.638  -0.701
  195    HG   SER  27           HG       SER  27 -18.273 -11.697  -1.288
  196    H    GLY  28           H        GLY  28 -13.404 -10.811   0.110
  197   1HA   GLY  28          2HA       GLY  28 -13.883 -10.934   2.870
  198   2HA   GLY  28          1HA       GLY  28 -13.182 -12.475   2.386
  199    H    ASP  29           H        ASP  29 -11.486 -11.556   0.334
  200    HA   ASP  29           HA       ASP  29  -9.820  -9.400   1.059
  201   1HB   ASP  29          2HB       ASP  29  -9.497 -11.254   2.953
  202   2HB   ASP  29          1HB       ASP  29  -8.392 -11.923   1.752
  203    H    PHE  30           H        PHE  30  -7.734  -9.445  -0.118
  204    HA   PHE  30           HA       PHE  30  -7.532 -11.432  -2.252
  205   1HB   PHE  30          2HB       PHE  30  -7.593  -9.846  -4.054
  206   2HB   PHE  30          1HB       PHE  30  -9.048  -9.610  -3.095
  207    HD1  PHE  30           HD2      PHE  30  -8.594  -7.883  -0.991
  208    HD2  PHE  30           HD1      PHE  30  -6.526  -7.905  -4.757
  209    HE1  PHE  30           HE2      PHE  30  -7.980  -5.511  -0.669
  210    HE2  PHE  30           HE1      PHE  30  -5.914  -5.528  -4.433
  211    HZ   PHE  30           HZ       PHE  30  -6.638  -4.329  -2.392
  212    H    LEU  31           H        LEU  31  -5.965 -10.311   0.142
  213    HA   LEU  31           HA       LEU  31  -3.499  -9.649  -1.340
  214   1HB   LEU  31          2HB       LEU  31  -4.224  -8.916   1.502
  215   2HB   LEU  31          1HB       LEU  31  -2.739  -8.469   0.658
  216    HG   LEU  31           HG       LEU  31  -5.420  -7.797  -0.532
  217   1HD1  LEU  31          2HD1      LEU  31  -4.173  -6.627   1.877
  218   2HD1  LEU  31          1HD1      LEU  31  -4.631  -5.453   0.643
  219   3HD1  LEU  31          3HD1      LEU  31  -5.844  -6.543   1.315
  220   1HD2  LEU  31          2HD2      LEU  31  -2.581  -6.785  -0.753
  221   2HD2  LEU  31          1HD2      LEU  31  -3.607  -7.451  -2.025
  222   3HD2  LEU  31          3HD2      LEU  31  -3.949  -5.852  -1.363
  223    H    ASP  32           H        ASP  32  -4.972 -11.758   1.018
  224    HA   ASP  32           HA       ASP  32  -2.705 -12.849   2.251
  225   1HB   ASP  32          2HB       ASP  32  -5.450 -13.895   1.652
  226   2HB   ASP  32          1HB       ASP  32  -4.224 -14.991   2.288
  227    H    LEU  33           H        LEU  33  -4.157 -13.459  -0.878
  228    HA   LEU  33           HA       LEU  33  -1.744 -14.855  -1.740
  229   1HB   LEU  33          2HB       LEU  33  -4.395 -16.174  -1.406
  230   2HB   LEU  33          1HB       LEU  33  -3.476 -16.559  -2.861
  231    HG   LEU  33           HG       LEU  33  -2.315 -16.690  -0.067
  232   1HD1  LEU  33          1HD1      LEU  33  -4.138 -18.335  -0.329
  233   2HD1  LEU  33          3HD1      LEU  33  -3.393 -18.923  -1.815
  234   3HD1  LEU  33          2HD1      LEU  33  -2.568 -19.136  -0.272
  235   1HD2  LEU  33          1HD2      LEU  33  -1.332 -17.161  -2.833
  236   2HD2  LEU  33          3HD2      LEU  33  -0.448 -16.642  -1.398
  237   3HD2  LEU  33          2HD2      LEU  33  -0.838 -18.347  -1.626
  238    H    ARG  34           H        ARG  34  -1.613 -12.832  -2.917
  239    HA   ARG  34           HA       ARG  34  -3.447 -12.736  -5.240
  240   1HB   ARG  34          2HB       ARG  34  -3.209 -10.750  -3.476
  241   2HB   ARG  34          1HB       ARG  34  -1.826 -10.347  -4.491
  242   1HG   ARG  34          2HG       ARG  34  -4.341 -11.040  -5.917
  243   2HG   ARG  34          1HG       ARG  34  -4.336  -9.510  -5.041
  244   1HD   ARG  34          2HD       ARG  34  -2.266  -8.849  -6.210
  245   2HD   ARG  34          1HD       ARG  34  -2.277 -10.373  -7.091
  246    HE   ARG  34           HE       ARG  34  -3.968  -8.067  -7.598
  247   1HH1  ARG  34          1HH2      ARG  34  -5.970 -10.195  -7.541
  248   2HH1  ARG  34          2HH2      ARG  34  -5.894 -10.887  -9.126
  249   1HH2  ARG  34          2HH1      ARG  34  -2.793  -9.520  -9.862
  250   2HH2  ARG  34          1HH1      ARG  34  -4.095 -10.504 -10.441
  251    H    PHE  35           H        PHE  35  -0.109 -11.927  -4.249
  252    HA   PHE  35           HA       PHE  35   0.835 -12.030  -6.987
  253   1HB   PHE  35          2HB       PHE  35   2.158 -11.600  -4.318
  254   2HB   PHE  35          1HB       PHE  35   3.126 -11.915  -5.757
  255    HD1  PHE  35           HD1      PHE  35   0.008  -9.917  -5.109
  256    HD2  PHE  35           HD2      PHE  35   4.040  -9.926  -6.607
  257    HE1  PHE  35           HE1      PHE  35  -0.226  -7.541  -5.768
  258    HE2  PHE  35           HE2      PHE  35   3.793  -7.558  -7.253
  259    HZ   PHE  35           HZ       PHE  35   1.675  -6.362  -6.840
  260    H    GLU  36           H        GLU  36   0.747 -14.128  -4.178
  261    HA   GLU  36           HA       GLU  36   2.548 -16.099  -5.267
  262   1HB   GLU  36          2HB       GLU  36   0.770 -15.937  -2.860
  263   2HB   GLU  36          1HB       GLU  36   1.395 -17.505  -3.370
  264   1HG   GLU  36          2HG       GLU  36   3.693 -16.246  -3.490
  265   2HG   GLU  36          1HG       GLU  36   2.905 -15.088  -2.419
  266    H    ASP  37           H        ASP  37  -0.955 -15.669  -5.042
  267    HA   ASP  37           HA       ASP  37  -1.778 -18.193  -5.958
  268   1HB   ASP  37          2HB       ASP  37  -3.127 -16.042  -5.129
  269   2HB   ASP  37          1HB       ASP  37  -3.294 -15.794  -6.867
  270    H    ILE  38           H        ILE  38  -1.652 -15.190  -7.870
  271    HA   ILE  38           HA       ILE  38  -1.612 -16.656 -10.362
  272    HB   ILE  38           HB       ILE  38  -2.729 -14.441 -10.142
  273   1HG1  ILE  38          2HG1      ILE  38  -0.385 -14.325 -12.057
  274   2HG1  ILE  38          1HG1      ILE  38  -1.823 -15.307 -12.331
  275   1HG2  ILE  38          1HG2      ILE  38  -0.214 -13.720  -8.958
  276   2HG2  ILE  38          3HG2      ILE  38  -0.478 -12.703 -10.375
  277   3HG2  ILE  38          2HG2      ILE  38  -1.682 -12.754  -9.089
  278   1HD1  ILE  38          1HD1      ILE  38  -1.952 -12.330 -11.802
  279   2HD1  ILE  38          3HD1      ILE  38  -1.844 -13.007 -13.427
  280   3HD1  ILE  38          2HD1      ILE  38  -3.237 -13.376 -12.409
  281    H    GLY  39           H        GLY  39   0.172 -16.270 -11.975
  282   1HA   GLY  39          2HA       GLY  39   2.733 -16.757 -10.688
  283   2HA   GLY  39          1HA       GLY  39   2.392 -16.859 -12.414
  284    H    TYR  40           H        TYR  40   2.723 -14.501  -9.767
  285    HA   TYR  40           HA       TYR  40   3.836 -12.580 -11.721
  286   1HB   TYR  40          2HB       TYR  40   1.911 -12.207  -9.477
  287   2HB   TYR  40          1HB       TYR  40   3.127 -10.954  -9.698
  288    HD1  TYR  40           HD2      TYR  40   1.177 -13.101 -12.091
  289    HD2  TYR  40           HD1      TYR  40   2.251  -9.136 -10.842
  290    HE1  TYR  40           HE2      TYR  40  -0.114 -12.158 -13.985
  291    HE2  TYR  40           HE1      TYR  40   0.959  -8.191 -12.735
  292    HH   TYR  40           HH       TYR  40   0.106  -8.836 -14.882
  293    H    ASP  41           H        ASP  41   5.882 -13.757 -11.226
  294    HA   ASP  41           HA       ASP  41   7.019 -13.648  -8.623
  295   1HB   ASP  41          2HB       ASP  41   9.202 -14.023  -9.851
  296   2HB   ASP  41          1HB       ASP  41   7.960 -15.236 -10.152
  297    H    SER  42           H        SER  42   8.913 -12.334  -8.062
  298    HA   SER  42           HA       SER  42   8.350  -9.582  -8.311
  299   1HB   SER  42          2HB       SER  42  10.878 -10.973  -7.407
  300   2HB   SER  42          1HB       SER  42  10.574  -9.248  -7.234
  301    HG   SER  42           HG       SER  42  10.003 -10.671  -5.402
  302    H    LEU  43           H        LEU  43  10.009 -11.668 -10.481
  303    HA   LEU  43           HA       LEU  43  11.644  -9.549 -11.626
  304   1HB   LEU  43          2HB       LEU  43  11.303 -12.480 -12.149
  305   2HB   LEU  43          1HB       LEU  43  12.056 -11.454 -13.370
  306    HG   LEU  43           HG       LEU  43  13.012 -11.102 -10.576
  307   1HD1  LEU  43          2HD1      LEU  43  12.726 -13.640 -11.090
  308   2HD1  LEU  43          1HD1      LEU  43  14.073 -13.405 -12.203
  309   3HD1  LEU  43          3HD1      LEU  43  14.283 -13.079 -10.482
  310   1HD2  LEU  43          2HD2      LEU  43  13.824  -9.935 -12.734
  311   2HD2  LEU  43          1HD2      LEU  43  15.060 -10.601 -11.667
  312   3HD2  LEU  43          3HD2      LEU  43  14.591 -11.474 -13.125
  313    H    ALA  44           H        ALA  44   8.532 -10.997 -12.175
  314    HA   ALA  44           HA       ALA  44   8.349  -9.963 -14.900
  315   1HB   ALA  44          3HB       ALA  44   6.599 -11.673 -13.165
  316   2HB   ALA  44          2HB       ALA  44   5.918 -10.872 -14.581
  317   3HB   ALA  44          1HB       ALA  44   7.251 -12.010 -14.769
  318    H    LEU  45           H        LEU  45   6.651  -9.529 -11.806
  319    HA   LEU  45           HA       LEU  45   5.043  -7.369 -12.727
  320   1HB   LEU  45          2HB       LEU  45   4.355  -7.122 -10.415
  321   2HB   LEU  45          1HB       LEU  45   4.419  -8.834 -10.818
  322    HG   LEU  45           HG       LEU  45   6.943  -8.503  -9.901
  323   1HD1  LEU  45          3HD1      LEU  45   6.019  -6.039  -9.373
  324   2HD1  LEU  45          2HD1      LEU  45   5.446  -6.856  -7.924
  325   3HD1  LEU  45          1HD1      LEU  45   7.165  -6.851  -8.306
  326   1HD2  LEU  45          2HD2      LEU  45   4.363  -9.354  -8.726
  327   2HD2  LEU  45          1HD2      LEU  45   5.909 -10.198  -8.774
  328   3HD2  LEU  45          3HD2      LEU  45   5.614  -8.975  -7.542
  329    H    MET  46           H        MET  46   8.341  -7.452 -12.009
  330    HA   MET  46           HA       MET  46   8.768  -5.078 -10.596
  331   1HB   MET  46          2HB       MET  46  10.479  -6.866 -11.259
  332   2HB   MET  46          1HB       MET  46  10.583  -6.025 -12.805
  333   1HG   MET  46          2HG       MET  46  11.552  -4.141 -11.876
  334   2HG   MET  46          1HG       MET  46  10.794  -4.399 -10.305
  335   1HE   MET  46          3HE       MET  46  13.204  -5.084 -12.824
  336   2HE   MET  46          2HE       MET  46  14.682  -5.597 -12.014
  337   3HE   MET  46          1HE       MET  46  13.515  -6.803 -12.548
  338    H    GLU  47           H        GLU  47   9.208  -5.462 -14.121
  339    HA   GLU  47           HA       GLU  47   9.307  -2.707 -14.677
  340   1HB   GLU  47          2HB       GLU  47   8.696  -5.119 -16.372
  341   2HB   GLU  47          1HB       GLU  47   8.633  -3.488 -17.043
  342   1HG   GLU  47          2HG       GLU  47  11.040  -4.249 -15.443
  343   2HG   GLU  47          1HG       GLU  47  10.891  -4.901 -17.076
  344    H    THR  48           H        THR  48   6.604  -4.939 -14.445
  345    HA   THR  48           HA       THR  48   4.586  -3.439 -15.665
  346    HB   THR  48           HB       THR  48   4.288  -5.166 -13.195
  347    HG1  THR  48           HG1      THR  48   5.268  -6.400 -14.711
  348   1HG2  THR  48          3HG2      THR  48   2.366  -4.404 -15.412
  349   2HG2  THR  48          2HG2      THR  48   2.017  -5.541 -14.108
  350   3HG2  THR  48          1HG2      THR  48   2.299  -3.838 -13.742
  351    H    ALA  49           H        ALA  49   5.834  -3.305 -12.368
  352    HA   ALA  49           HA       ALA  49   3.963  -1.284 -11.518
  353   1HB   ALA  49          2HB       ALA  49   6.344  -2.628 -10.284
  354   2HB   ALA  49          1HB       ALA  49   5.690  -1.160  -9.557
  355   3HB   ALA  49          3HB       ALA  49   4.671  -2.591  -9.726
  356    H    ALA  50           H        ALA  50   7.175  -1.372 -12.896
  357    HA   ALA  50           HA       ALA  50   8.093   1.183 -12.170
  358   1HB   ALA  50          2HB       ALA  50   8.622  -0.396 -14.699
  359   2HB   ALA  50          1HB       ALA  50   9.533   1.024 -14.184
  360   3HB   ALA  50          3HB       ALA  50   9.574  -0.450 -13.215
  361    H    ARG  51           H        ARG  51   5.939   0.108 -14.733
  362    HA   ARG  51           HA       ARG  51   5.768   2.786 -15.887
  363   1HB   ARG  51          2HB       ARG  51   4.529   0.126 -16.580
  364   2HB   ARG  51          1HB       ARG  51   3.997   1.625 -17.342
  365   1HG   ARG  51          2HG       ARG  51   6.249   2.066 -18.156
  366   2HG   ARG  51          1HG       ARG  51   6.869   0.657 -17.294
  367   1HD   ARG  51          2HD       ARG  51   5.831  -0.852 -18.742
  368   2HD   ARG  51          1HD       ARG  51   4.627   0.322 -19.262
  369    HE   ARG  51           HE       ARG  51   6.675   1.461 -20.367
  370   1HH1  ARG  51          1HH2      ARG  51   8.718  -0.567 -19.855
  371   2HH1  ARG  51          2HH2      ARG  51   8.607  -1.628 -21.219
  372   1HH2  ARG  51          2HH1      ARG  51   5.460  -0.516 -22.163
  373   2HH2  ARG  51          1HH1      ARG  51   6.762  -1.600 -22.526
  374    H    LEU  52           H        LEU  52   3.934   0.627 -13.823
  375    HA   LEU  52           HA       LEU  52   1.434   1.912 -13.893
  376   1HB   LEU  52          2HB       LEU  52   1.991  -0.327 -12.824
  377   2HB   LEU  52          1HB       LEU  52   2.624   0.587 -11.454
  378    HG   LEU  52           HG       LEU  52   0.265   1.821 -11.667
  379   1HD1  LEU  52          2HD1      LEU  52   0.013  -0.728 -13.184
  380   2HD1  LEU  52          1HD1      LEU  52  -1.302  -0.335 -12.076
  381   3HD1  LEU  52          3HD1      LEU  52  -0.875   0.785 -13.371
  382   1HD2  LEU  52          1HD2      LEU  52   1.325   0.372  -9.783
  383   2HD2  LEU  52          3HD2      LEU  52  -0.431   0.542  -9.809
  384   3HD2  LEU  52          2HD2      LEU  52   0.322  -0.928 -10.427
  385    H    GLU  53           H        GLU  53   4.404   2.720 -12.236
  386    HA   GLU  53           HA       GLU  53   3.117   4.690 -10.521
  387   1HB   GLU  53          2HB       GLU  53   5.439   5.168  -9.765
  388   2HB   GLU  53          1HB       GLU  53   5.001   3.466  -9.602
  389   1HG   GLU  53          2HG       GLU  53   6.444   2.795 -11.256
  390   2HG   GLU  53          1HG       GLU  53   6.235   4.279 -12.185
  391    H    SER  54           H        SER  54   4.635   4.588 -13.634
  392    HA   SER  54           HA       SER  54   5.678   7.150 -13.901
  393   1HB   SER  54          2HB       SER  54   5.707   5.219 -15.593
  394   2HB   SER  54          1HB       SER  54   4.124   5.799 -16.102
  395    HG   SER  54           HG       SER  54   5.048   7.772 -16.610
  396    H    ARG  55           H        ARG  55   2.339   6.115 -13.843
  397    HA   ARG  55           HA       ARG  55   1.381   8.708 -14.782
  398   1HB   ARG  55          2HB       ARG  55  -0.880   7.717 -14.440
  399   2HB   ARG  55          1HB       ARG  55   0.136   6.767 -15.524
  400   1HG   ARG  55          2HG       ARG  55   0.599   5.149 -13.833
  401   2HG   ARG  55          1HG       ARG  55  -0.052   6.186 -12.563
  402   1HD   ARG  55          2HD       ARG  55  -2.228   6.040 -14.122
  403   2HD   ARG  55          1HD       ARG  55  -1.484   4.506 -14.564
  404    HE   ARG  55           HE       ARG  55  -1.454   4.663 -11.773
  405   1HH1  ARG  55          1HH2      ARG  55  -2.976   2.869 -13.985
  406   2HH1  ARG  55          2HH2      ARG  55  -4.539   2.824 -13.241
  407   1HH2  ARG  55          2HH1      ARG  55  -3.821   5.339 -10.965
  408   2HH2  ARG  55          1HH1      ARG  55  -5.017   4.223 -11.531
  409    H    TYR  56           H        TYR  56   1.834   6.962 -11.787
  410    HA   TYR  56           HA       TYR  56   0.129   8.451 -10.111
  411   1HB   TYR  56          2HB       TYR  56   2.539   6.748  -9.702
  412   2HB   TYR  56          1HB       TYR  56   2.086   7.836  -8.390
  413    HD1  TYR  56           HD1      TYR  56   0.600   5.305 -10.729
  414    HD2  TYR  56           HD2      TYR  56   0.420   7.203  -6.880
  415    HE1  TYR  56           HE1      TYR  56  -1.201   3.742 -10.039
  416    HE2  TYR  56           HE2      TYR  56  -1.379   5.644  -6.194
  417    HH   TYR  56           HH       TYR  56  -2.118   2.831  -7.879
  418    H    GLY  57           H        GLY  57   3.505   8.978 -11.075
  419   1HA   GLY  57          2HA       GLY  57   4.423  11.164 -11.393
  420   2HA   GLY  57          1HA       GLY  57   3.229  11.798 -10.266
  421    H    VAL  58           H        VAL  58   3.811   9.442  -8.437
  422    HA   VAL  58           HA       VAL  58   5.613  10.718  -6.706
  423    HB   VAL  58           HB       VAL  58   3.822   8.884  -6.261
  424   1HG1  VAL  58          3HG1      VAL  58   5.312   7.277  -7.799
  425   2HG1  VAL  58          2HG1      VAL  58   6.077   6.939  -6.245
  426   3HG1  VAL  58          1HG1      VAL  58   4.348   6.660  -6.456
  427   1HG2  VAL  58          2HG2      VAL  58   5.817   9.946  -4.759
  428   2HG2  VAL  58          1HG2      VAL  58   4.627   8.799  -4.143
  429   3HG2  VAL  58          3HG2      VAL  58   6.215   8.231  -4.660
  430    H    SER  59           H        SER  59   7.611   9.295  -5.832
  431    HA   SER  59           HA       SER  59   9.643   9.509  -7.750
  432   1HB   SER  59          2HB       SER  59   9.824   7.663  -5.379
  433   2HB   SER  59          1HB       SER  59  11.103   8.614  -6.130
  434    HG   SER  59           HG       SER  59  10.542   9.816  -4.422
  435    H    ILE  60           H        ILE  60  11.181   7.271  -7.720
  436    HA   ILE  60           HA       ILE  60   9.485   5.255  -9.073
  437    HB   ILE  60           HB       ILE  60  11.514   4.787 -10.499
  438   1HG1  ILE  60          2HG1      ILE  60  12.530   7.514  -9.861
  439   2HG1  ILE  60          1HG1      ILE  60  12.890   6.246  -8.689
  440   1HG2  ILE  60          1HG2      ILE  60  10.069   7.437 -10.552
  441   2HG2  ILE  60          3HG2      ILE  60  11.217   6.993 -11.815
  442   3HG2  ILE  60          2HG2      ILE  60   9.779   6.009 -11.545
  443   1HD1  ILE  60          1HD1      ILE  60  13.323   5.649 -11.587
  444   2HD1  ILE  60          3HD1      ILE  60  14.492   6.684 -10.767
  445   3HD1  ILE  60          2HD1      ILE  60  14.195   5.048 -10.177
  446    HA   PRO  61           HA       PRO  61  11.872   3.052  -5.791
  447   1HB   PRO  61          2HB       PRO  61   9.734   1.887  -4.556
  448   2HB   PRO  61          1HB       PRO  61  10.341   3.501  -4.151
  449   1HG   PRO  61          2HG       PRO  61   7.881   2.733  -5.592
  450   2HG   PRO  61          1HG       PRO  61   8.251   4.221  -4.707
  451   1HD   PRO  61          2HD       PRO  61   8.299   3.844  -7.544
  452   2HD   PRO  61          1HD       PRO  61   8.808   5.291  -6.642
  453    H    ASP  62           H        ASP  62  12.426   1.903  -7.880
  454    HA   ASP  62           HA       ASP  62  10.804  -0.406  -8.577
  455   1HB   ASP  62          2HB       ASP  62  13.297   0.847  -9.664
  456   2HB   ASP  62          1HB       ASP  62  12.903  -0.818 -10.093
  457    H    ASP  63           H        ASP  63  13.468   0.272  -6.483
  458    HA   ASP  63           HA       ASP  63  14.600  -2.367  -6.500
  459   1HB   ASP  63          2HB       ASP  63  15.712  -0.150  -5.755
  460   2HB   ASP  63          1HB       ASP  63  14.882  -0.422  -4.223
  461    H    VAL  64           H        VAL  64  12.939  -0.618  -3.862
  462    HA   VAL  64           HA       VAL  64  12.436  -2.940  -2.337
  463    HB   VAL  64           HB       VAL  64  12.433  -0.655  -1.394
  464   1HG1  VAL  64          3HG1      VAL  64  11.120   0.280  -3.408
  465   2HG1  VAL  64          2HG1      VAL  64   9.679  -0.299  -2.570
  466   3HG1  VAL  64          1HG1      VAL  64  10.714   0.911  -1.811
  467   1HG2  VAL  64          3HG2      VAL  64  11.286  -2.524  -0.221
  468   2HG2  VAL  64          2HG2      VAL  64  10.515  -0.971   0.100
  469   3HG2  VAL  64          1HG2      VAL  64   9.787  -2.097  -1.044
  470    H    ALA  65           H        ALA  65  10.390  -1.141  -4.610
  471    HA   ALA  65           HA       ALA  65   8.098  -2.820  -4.249
  472   1HB   ALA  65          1HB       ALA  65   8.315  -0.392  -5.275
  473   2HB   ALA  65          3HB       ALA  65   8.526  -1.287  -6.781
  474   3HB   ALA  65          2HB       ALA  65   7.056  -1.495  -5.830
  475    H    GLY  66           H        GLY  66  10.897  -2.871  -6.351
  476   1HA   GLY  66          2HA       GLY  66   9.939  -4.681  -8.302
  477   2HA   GLY  66          1HA       GLY  66  11.633  -4.404  -7.909
  478    H    ARG  67           H        ARG  67  11.403  -5.144  -5.130
  479    HA   ARG  67           HA       ARG  67  11.338  -8.063  -5.485
  480   1HB   ARG  67          2HB       ARG  67  13.313  -6.691  -4.437
  481   2HB   ARG  67          1HB       ARG  67  12.306  -6.713  -2.988
  482   1HG   ARG  67          2HG       ARG  67  12.368  -9.057  -2.826
  483   2HG   ARG  67          1HG       ARG  67  12.841  -9.254  -4.514
  484   1HD   ARG  67          2HD       ARG  67  14.976  -7.927  -3.804
  485   2HD   ARG  67          1HD       ARG  67  14.518  -8.395  -2.171
  486    HE   ARG  67           HE       ARG  67  14.884 -10.434  -4.286
  487   1HH1  ARG  67          2HH1      ARG  67  14.578 -12.159  -2.336
  488   2HH1  ARG  67          1HH1      ARG  67  15.963 -12.150  -1.297
  489   1HH2  ARG  67          1HH2      ARG  67  17.128  -9.089  -2.433
  490   2HH2  ARG  67          2HH2      ARG  67  17.407 -10.412  -1.351
  491    H    VAL  68           H        VAL  68   8.843  -6.736  -5.352
  492    HA   VAL  68           HA       VAL  68   7.831  -7.068  -2.643
  493    HB   VAL  68           HB       VAL  68   6.995  -5.228  -4.084
  494   1HG1  VAL  68          2HG1      VAL  68   7.023  -7.020  -6.118
  495   2HG1  VAL  68          1HG1      VAL  68   5.317  -7.089  -5.679
  496   3HG1  VAL  68          3HG1      VAL  68   6.048  -5.551  -6.143
  497   1HG2  VAL  68          3HG2      VAL  68   5.542  -6.864  -2.395
  498   2HG2  VAL  68          2HG2      VAL  68   4.975  -5.329  -3.051
  499   3HG2  VAL  68          1HG2      VAL  68   4.543  -6.841  -3.849
  500    H    ASP  69           H        ASP  69   7.264  -8.989  -1.882
  501    HA   ASP  69           HA       ASP  69   6.640 -11.164  -3.752
  502   1HB   ASP  69          2HB       ASP  69   7.424 -11.029  -0.860
  503   2HB   ASP  69          1HB       ASP  69   6.582 -12.455  -1.465
  504    H    THR  70           H        THR  70   5.215  -9.293  -1.126
  505    HA   THR  70           HA       THR  70   2.668 -10.730  -1.477
  506    HB   THR  70           HB       THR  70   2.167  -9.015   0.556
  507    HG1  THR  70           HG1      THR  70   4.062  -8.931   1.812
  508   1HG2  THR  70          2HG2      THR  70   1.920 -11.488   0.549
  509   2HG2  THR  70          1HG2      THR  70   3.655 -11.642   0.825
  510   3HG2  THR  70          3HG2      THR  70   2.629 -10.894   2.050
  511    HA   PRO  71           HA       PRO  71   0.864  -7.299  -3.584
  512   1HB   PRO  71          2HB       PRO  71  -1.740  -7.470  -2.782
  513   2HB   PRO  71          1HB       PRO  71  -0.984  -8.604  -3.912
  514   1HG   PRO  71          2HG       PRO  71  -1.685  -8.976  -1.053
  515   2HG   PRO  71          1HG       PRO  71  -1.606 -10.170  -2.358
  516   1HD   PRO  71          2HD       PRO  71   0.343  -9.769  -0.367
  517   2HD   PRO  71          1HD       PRO  71   0.571 -10.679  -1.879
  518    H    ARG  72           H        ARG  72  -0.272  -7.477  -0.208
  519    HA   ARG  72           HA       ARG  72  -1.133  -4.849   0.132
  520   1HB   ARG  72          2HB       ARG  72  -1.235  -6.865   1.765
  521   2HB   ARG  72          1HB       ARG  72   0.340  -6.296   2.317
  522   1HG   ARG  72          2HG       ARG  72  -0.551  -4.161   2.946
  523   2HG   ARG  72          1HG       ARG  72  -2.080  -4.489   2.128
  524   1HD   ARG  72          2HD       ARG  72  -2.047  -6.596   3.788
  525   2HD   ARG  72          1HD       ARG  72  -1.079  -5.486   4.751
  526    HE   ARG  72           HE       ARG  72  -3.049  -3.894   4.450
  527   1HH1  ARG  72          1HH2      ARG  72  -5.326  -4.512   3.489
  528   2HH1  ARG  72          2HH2      ARG  72  -6.099  -5.772   4.392
  529   1HH2  ARG  72          2HH1      ARG  72  -3.194  -6.760   6.008
  530   2HH2  ARG  72          1HH1      ARG  72  -4.892  -7.043   5.820
  531    H    GLU  73           H        GLU  73   2.110  -6.110  -0.063
  532    HA   GLU  73           HA       GLU  73   3.505  -3.997   1.198
  533   1HB   GLU  73          2HB       GLU  73   4.231  -6.116  -0.789
  534   2HB   GLU  73          1HB       GLU  73   5.363  -4.798  -0.485
  535   1HG   GLU  73          2HG       GLU  73   4.900  -5.347   2.038
  536   2HG   GLU  73          1HG       GLU  73   4.365  -6.904   1.406
  537    H    LEU  74           H        LEU  74   2.592  -4.551  -2.191
  538    HA   LEU  74           HA       LEU  74   3.865  -2.338  -3.329
  539   1HB   LEU  74          2HB       LEU  74   2.237  -4.356  -4.270
  540   2HB   LEU  74          1HB       LEU  74   1.236  -2.924  -4.505
  541    HG   LEU  74           HG       LEU  74   3.265  -1.831  -5.590
  542   1HD1  LEU  74          2HD1      LEU  74   4.871  -3.519  -4.585
  543   2HD1  LEU  74          1HD1      LEU  74   4.252  -4.691  -5.749
  544   3HD1  LEU  74          3HD1      LEU  74   5.078  -3.238  -6.314
  545   1HD2  LEU  74          2HD2      LEU  74   1.833  -4.227  -6.727
  546   2HD2  LEU  74          1HD2      LEU  74   1.592  -2.520  -7.097
  547   3HD2  LEU  74          3HD2      LEU  74   3.025  -3.359  -7.694
  548    H    LEU  75           H        LEU  75   0.620  -2.592  -1.893
  549    HA   LEU  75           HA       LEU  75  -0.278   0.005  -2.497
  550   1HB   LEU  75          2HB       LEU  75  -1.750  -1.780  -1.607
  551   2HB   LEU  75          1HB       LEU  75  -0.932  -1.664  -0.050
  552    HG   LEU  75           HG       LEU  75  -1.583   0.891  -0.233
  553   1HD1  LEU  75          3HD1      LEU  75  -2.491   0.416  -2.611
  554   2HD1  LEU  75          2HD1      LEU  75  -3.868  -0.313  -1.786
  555   3HD1  LEU  75          1HD1      LEU  75  -3.488   1.390  -1.530
  556   1HD2  LEU  75          2HD2      LEU  75  -2.397  -0.771   1.451
  557   2HD2  LEU  75          1HD2      LEU  75  -3.626   0.412   1.001
  558   3HD2  LEU  75          3HD2      LEU  75  -3.685  -1.219   0.332
  559    H    ASP  76           H        ASP  76   1.211  -1.194   0.522
  560    HA   ASP  76           HA       ASP  76   1.412   1.329   1.767
  561   1HB   ASP  76          2HB       ASP  76   2.913  -1.256   2.161
  562   2HB   ASP  76          1HB       ASP  76   3.233   0.177   3.140
  563    H    LEU  77           H        LEU  77   3.241  -0.034  -0.813
  564    HA   LEU  77           HA       LEU  77   5.696   1.362  -0.341
  565   1HB   LEU  77          2HB       LEU  77   5.120  -0.710  -1.907
  566   2HB   LEU  77          1HB       LEU  77   4.867   0.561  -3.097
  567    HG   LEU  77           HG       LEU  77   7.176  -0.247  -3.187
  568   1HD1  LEU  77          3HD1      LEU  77   6.649   2.179  -3.590
  569   2HD1  LEU  77          2HD1      LEU  77   7.114   2.501  -1.919
  570   3HD1  LEU  77          1HD1      LEU  77   8.306   1.881  -3.062
  571   1HD2  LEU  77          1HD2      LEU  77   6.910  -0.221  -0.322
  572   2HD2  LEU  77          3HD2      LEU  77   8.226  -0.872  -1.296
  573   3HD2  LEU  77          2HD2      LEU  77   8.267   0.810  -0.772
  574    H    ILE  78           H        ILE  78   3.315   1.783  -2.959
  575    HA   ILE  78           HA       ILE  78   4.230   4.283  -3.832
  576    HB   ILE  78           HB       ILE  78   1.411   3.174  -3.956
  577   1HG1  ILE  78          2HG1      ILE  78   3.623   3.070  -6.025
  578   2HG1  ILE  78          1HG1      ILE  78   3.254   1.739  -4.930
  579   1HG2  ILE  78          1HG2      ILE  78   2.807   5.445  -5.382
  580   2HG2  ILE  78          3HG2      ILE  78   1.385   4.651  -6.060
  581   3HG2  ILE  78          2HG2      ILE  78   1.275   5.482  -4.509
  582   1HD1  ILE  78          3HD1      ILE  78   1.236   3.002  -6.805
  583   2HD1  ILE  78          2HD1      ILE  78   2.134   1.528  -7.166
  584   3HD1  ILE  78          1HD1      ILE  78   1.001   1.561  -5.815
  585    H    ASN  79           H        ASN  79   1.949   3.436  -1.314
  586    HA   ASN  79           HA       ASN  79   0.774   5.911  -0.802
  587   1HB   ASN  79          2HB       ASN  79   0.584   3.425   0.309
  588   2HB   ASN  79          1HB       ASN  79   1.414   4.302   1.592
  589   1HD2  ASN  79          2HD2      ASN  79  -2.496   4.801   1.250
  590   2HD2  ASN  79          1HD2      ASN  79  -1.628   3.475   0.644
  591    H    GLY  80           H        GLY  80   3.522   4.469   0.970
  592   1HA   GLY  80          2HA       GLY  80   4.163   6.790   2.441
  593   2HA   GLY  80          1HA       GLY  80   5.244   5.430   2.159
  594    H    ALA  81           H        ALA  81   4.985   5.804  -0.804
  595    HA   ALA  81           HA       ALA  81   7.236   7.524  -1.147
  596   1HB   ALA  81          3HB       ALA  81   6.513   5.493  -2.586
  597   2HB   ALA  81          2HB       ALA  81   5.449   6.642  -3.399
  598   3HB   ALA  81          1HB       ALA  81   7.194   6.898  -3.406
  599    H    LEU  82           H        LEU  82   3.775   7.926  -1.444
  600    HA   LEU  82           HA       LEU  82   3.949  10.437  -2.867
  601   1HB   LEU  82          2HB       LEU  82   1.970   8.635  -2.678
  602   2HB   LEU  82          1HB       LEU  82   1.479   9.717  -1.377
  603    HG   LEU  82           HG       LEU  82   1.946  11.603  -3.148
  604   1HD1  LEU  82          2HD1      LEU  82   1.510   9.134  -4.855
  605   2HD1  LEU  82          1HD1      LEU  82   1.370  10.787  -5.452
  606   3HD1  LEU  82          3HD1      LEU  82   2.922  10.191  -4.866
  607   1HD2  LEU  82          1HD2      LEU  82  -0.436   9.734  -3.106
  608   2HD2  LEU  82          3HD2      LEU  82  -0.259  11.279  -2.275
  609   3HD2  LEU  82          2HD2      LEU  82  -0.429  11.236  -4.030
  610    H    ALA  83           H        ALA  83   3.447   9.380   0.467
  611    HA   ALA  83           HA       ALA  83   2.800  11.887   1.585
  612   1HB   ALA  83          1HB       ALA  83   4.188   9.496   2.820
  613   2HB   ALA  83          3HB       ALA  83   3.609  10.889   3.732
  614   3HB   ALA  83          2HB       ALA  83   2.464   9.861   2.870
  615    H    GLU  84           H        GLU  84   5.909  10.263   1.082
  616    HA   GLU  84           HA       GLU  84   7.452  12.374   2.279
  617   1HB   GLU  84          2HB       GLU  84   8.038   9.814   1.796
  618   2HB   GLU  84          1HB       GLU  84   8.699  10.513   0.318
  619   1HG   GLU  84          2HG       GLU  84   9.974  12.148   1.721
  620   2HG   GLU  84          1HG       GLU  84   9.400  11.303   3.159
  621    H    ALA  85           H        ALA  85   6.303  11.598  -0.933
  622    HA   ALA  85           HA       ALA  85   8.009  13.226  -2.463
  623   1HB   ALA  85          1HB       ALA  85   5.099  12.543  -2.949
  624   2HB   ALA  85          3HB       ALA  85   6.205  13.212  -4.149
  625   3HB   ALA  85          2HB       ALA  85   6.487  11.601  -3.490
  626    H    ALA  86           HN       ALA  86   5.166  13.968  -0.551
  627    HA   ALA  86           HA       ALA  86   5.057  16.717  -1.525
  628   1HB   ALA  86          3HB       ALA  86   3.019  15.265  -0.871
  629   2HB   ALA  86          2HB       ALA  86   3.476  15.629   0.793
  630   3HB   ALA  86          1HB       ALA  86   3.055  16.937  -0.314
   
  No H/Q in entry =         630
  Start of MODEL    2
    1   1H    MET   1          3H        MET   1 -12.560  10.850  -0.921
    2   2H    MET   1          2H        MET   1 -14.215  11.069  -0.606
    3   3H    MET   1          1H        MET   1 -13.673  10.841  -2.200
    4    HA   MET   1           HA       MET   1 -14.183  13.158  -1.844
    5   1HB   MET   1          2HB       MET   1 -13.422  12.742   0.710
    6   2HB   MET   1          1HB       MET   1 -11.933  13.448   0.083
    7   1HG   MET   1          2HG       MET   1 -14.664  14.697  -0.312
    8   2HG   MET   1          1HG       MET   1 -13.578  15.132   1.009
    9   1HE   MET   1          1HE       MET   1 -14.781  15.678  -2.341
   10   2HE   MET   1          3HE       MET   1 -14.754  17.145  -1.350
   11   3HE   MET   1          2HE       MET   1 -13.845  17.079  -2.859
   12    H    ALA   2           H        ALA   2 -10.884  11.941  -1.214
   13    HA   ALA   2           HA       ALA   2  -9.958  13.439  -3.590
   14   1HB   ALA   2          2HB       ALA   2  -8.845  14.037  -1.458
   15   2HB   ALA   2          1HB       ALA   2  -8.331  12.360  -1.274
   16   3HB   ALA   2          3HB       ALA   2  -7.720  13.328  -2.616
   17    H    THR   3           H        THR   3  -7.720  12.242  -4.292
   18    HA   THR   3           HA       THR   3  -8.453   9.417  -4.804
   19    HB   THR   3           HB       THR   3  -6.847  11.092  -6.726
   20    HG1  THR   3           HG1      THR   3  -8.871  11.359  -7.823
   21   1HG2  THR   3          3HG2      THR   3  -6.862   8.598  -6.903
   22   2HG2  THR   3          2HG2      THR   3  -8.614   8.659  -7.103
   23   3HG2  THR   3          1HG2      THR   3  -7.562   9.394  -8.312
   24    H    LEU   4           H        LEU   4  -7.101   8.153  -3.719
   25    HA   LEU   4           HA       LEU   4  -4.217   8.797  -3.779
   26   1HB   LEU   4          2HB       LEU   4  -5.874   7.936  -1.407
   27   2HB   LEU   4          1HB       LEU   4  -4.120   7.756  -1.453
   28    HG   LEU   4           HG       LEU   4  -4.289  10.321  -2.232
   29   1HD1  LEU   4          2HD1      LEU   4  -6.796  10.240  -2.074
   30   2HD1  LEU   4          1HD1      LEU   4  -6.631   9.967  -0.340
   31   3HD1  LEU   4          3HD1      LEU   4  -6.066  11.478  -1.052
   32   1HD2  LEU   4          1HD2      LEU   4  -3.053   9.331  -0.271
   33   2HD2  LEU   4          3HD2      LEU   4  -3.745  10.922   0.055
   34   3HD2  LEU   4          2HD2      LEU   4  -4.539   9.472   0.670
   35    H    LEU   5           H        LEU   5  -3.045   6.714  -2.780
   36    HA   LEU   5           HA       LEU   5  -3.852   4.519  -4.542
   37   1HB   LEU   5          2HB       LEU   5  -1.327   5.367  -3.225
   38   2HB   LEU   5          1HB       LEU   5  -1.558   3.632  -3.445
   39    HG   LEU   5           HG       LEU   5  -0.400   4.695  -5.384
   40   1HD1  LEU   5          1HD1      LEU   5  -2.079   2.697  -5.485
   41   2HD1  LEU   5          3HD1      LEU   5  -3.143   3.851  -6.292
   42   3HD1  LEU   5          2HD1      LEU   5  -1.573   3.457  -6.994
   43   1HD2  LEU   5          1HD2      LEU   5  -2.133   6.775  -5.002
   44   2HD2  LEU   5          3HD2      LEU   5  -1.252   6.500  -6.505
   45   3HD2  LEU   5          2HD2      LEU   5  -2.917   5.940  -6.344
   46    H    THR   6           H        THR   6  -5.701   4.597  -2.786
   47    HA   THR   6           HA       THR   6  -5.194   3.224  -0.321
   48    HB   THR   6           HB       THR   6  -7.135   4.698  -0.555
   49    HG1  THR   6           HG1      THR   6  -7.354   3.024   0.905
   50   1HG2  THR   6          1HG2      THR   6  -7.409   3.612  -3.057
   51   2HG2  THR   6          3HG2      THR   6  -8.697   2.793  -2.174
   52   3HG2  THR   6          2HG2      THR   6  -8.654   4.554  -2.237
   53    H    THR   7           H        THR   7  -6.390   1.153   0.196
   54    HA   THR   7           HA       THR   7  -5.352  -1.004  -1.201
   55    HB   THR   7           HB       THR   7  -7.912  -0.980   0.418
   56    HG1  THR   7           HG1      THR   7  -5.246  -1.499   1.223
   57   1HG2  THR   7          2HG2      THR   7  -6.028  -3.142  -0.510
   58   2HG2  THR   7          1HG2      THR   7  -7.062  -3.364   0.902
   59   3HG2  THR   7          3HG2      THR   7  -7.783  -3.068  -0.680
   60    H    ASP   8           H        ASP   8  -8.416   0.668  -1.640
   61    HA   ASP   8           HA       ASP   8  -9.751  -1.087  -3.349
   62   1HB   ASP   8          2HB       ASP   8 -10.605   1.126  -2.383
   63   2HB   ASP   8          1HB       ASP   8  -9.776   1.908  -3.729
   64    H    ASP   9           H        ASP   9  -7.419   1.472  -4.134
   65    HA   ASP   9           HA       ASP   9  -7.430   1.060  -6.946
   66   1HB   ASP   9          2HB       ASP   9  -6.462   3.052  -5.582
   67   2HB   ASP   9          1HB       ASP   9  -5.021   2.046  -5.436
   68    H    LEU  10           H        LEU  10  -5.734  -0.423  -4.265
   69    HA   LEU  10           HA       LEU  10  -3.626  -1.724  -5.528
   70   1HB   LEU  10          2HB       LEU  10  -4.603  -1.690  -3.000
   71   2HB   LEU  10          1HB       LEU  10  -5.113  -3.300  -3.502
   72    HG   LEU  10           HG       LEU  10  -2.285  -2.287  -3.869
   73   1HD1  LEU  10          3HD1      LEU  10  -3.093  -2.383  -1.441
   74   2HD1  LEU  10          2HD1      LEU  10  -3.268  -4.122  -1.672
   75   3HD1  LEU  10          1HD1      LEU  10  -1.682  -3.366  -1.825
   76   1HD2  LEU  10          1HD2      LEU  10  -3.517  -5.063  -3.843
   77   2HD2  LEU  10          3HD2      LEU  10  -2.994  -4.189  -5.284
   78   3HD2  LEU  10          2HD2      LEU  10  -1.806  -4.701  -4.085
   79    H    ARG  11           H        ARG  11  -6.900  -2.997  -4.921
   80    HA   ARG  11           HA       ARG  11  -6.554  -5.414  -6.352
   81   1HB   ARG  11          2HB       ARG  11  -8.494  -4.411  -4.713
   82   2HB   ARG  11          1HB       ARG  11  -9.287  -4.291  -6.281
   83   1HG   ARG  11          2HG       ARG  11  -8.245  -6.767  -6.519
   84   2HG   ARG  11          1HG       ARG  11  -8.442  -6.710  -4.766
   85   1HD   ARG  11          2HD       ARG  11 -10.483  -7.592  -5.693
   86   2HD   ARG  11          1HD       ARG  11 -10.815  -5.956  -5.134
   87    HE   ARG  11           HE       ARG  11 -10.131  -5.663  -7.788
   88   1HH1  ARG  11          2HH1      ARG  11 -12.911  -5.724  -6.114
   89   2HH1  ARG  11          1HH1      ARG  11 -13.895  -6.510  -7.302
   90   1HH2  ARG  11          1HH2      ARG  11 -11.212  -7.453  -9.287
   91   2HH2  ARG  11          2HH2      ARG  11 -12.934  -7.489  -9.098
   92    H    ARG  12           H        ARG  12  -7.985  -2.301  -7.257
   93    HA   ARG  12           HA       ARG  12  -8.884  -2.960  -9.820
   94   1HB   ARG  12          2HB       ARG  12  -8.104  -0.432  -8.455
   95   2HB   ARG  12          1HB       ARG  12  -8.251  -0.397 -10.212
   96   1HG   ARG  12          2HG       ARG  12 -10.523  -1.464  -9.962
   97   2HG   ARG  12          1HG       ARG  12 -10.372  -1.241  -8.219
   98   1HD   ARG  12          2HD       ARG  12 -10.634   1.031  -8.345
   99   2HD   ARG  12          1HD       ARG  12  -9.832   1.144  -9.908
  100    HE   ARG  12           HE       ARG  12 -12.671   0.611  -9.445
  101   1HH1  ARG  12          1HH2      ARG  12 -12.812  -1.066 -11.521
  102   2HH1  ARG  12          2HH2      ARG  12 -12.546  -0.185 -12.988
  103   1HH2  ARG  12          2HH1      ARG  12 -11.103   2.541 -11.402
  104   2HH2  ARG  12          1HH1      ARG  12 -11.578   1.856 -12.921
  105    H    ALA  13           H        ALA  13  -5.641  -2.460  -8.676
  106    HA   ALA  13           HA       ALA  13  -4.535  -1.971 -11.310
  107   1HB   ALA  13          2HB       ALA  13  -3.224  -2.546  -8.644
  108   2HB   ALA  13          1HB       ALA  13  -2.343  -2.184 -10.127
  109   3HB   ALA  13          3HB       ALA  13  -3.407  -0.971  -9.417
  110    H    LEU  14           H        LEU  14  -4.281  -4.590  -8.905
  111    HA   LEU  14           HA       LEU  14  -2.849  -6.394 -10.507
  112   1HB   LEU  14          2HB       LEU  14  -4.602  -6.670  -8.102
  113   2HB   LEU  14          1HB       LEU  14  -4.103  -8.125  -8.964
  114    HG   LEU  14           HG       LEU  14  -1.973  -6.123  -8.419
  115   1HD1  LEU  14          1HD1      LEU  14  -3.581  -6.496  -6.326
  116   2HD1  LEU  14          3HD1      LEU  14  -2.659  -7.994  -6.189
  117   3HD1  LEU  14          2HD1      LEU  14  -1.829  -6.439  -6.134
  118   1HD2  LEU  14          3HD2      LEU  14  -2.025  -8.646  -9.423
  119   2HD2  LEU  14          2HD2      LEU  14  -0.621  -7.964  -8.602
  120   3HD2  LEU  14          1HD2      LEU  14  -1.740  -9.002  -7.719
  121    H    VAL  15           H        VAL  15  -6.168  -5.443 -10.669
  122    HA   VAL  15           HA       VAL  15  -6.992  -7.846 -12.100
  123    HB   VAL  15           HB       VAL  15  -8.542  -5.293 -11.594
  124   1HG1  VAL  15          3HG1      VAL  15  -9.390  -8.089 -12.412
  125   2HG1  VAL  15          2HG1      VAL  15 -10.497  -6.775 -12.016
  126   3HG1  VAL  15          1HG1      VAL  15  -9.445  -6.647 -13.426
  127   1HG2  VAL  15          2HG2      VAL  15  -7.631  -6.921  -9.634
  128   2HG2  VAL  15          1HG2      VAL  15  -9.200  -6.122  -9.554
  129   3HG2  VAL  15          3HG2      VAL  15  -9.091  -7.800 -10.084
  130    H    GLU  16           H        GLU  16  -6.032  -4.544 -12.743
  131    HA   GLU  16           HA       GLU  16  -7.014  -4.211 -15.342
  132   1HB   GLU  16          2HB       GLU  16  -5.619  -2.621 -13.707
  133   2HB   GLU  16          1HB       GLU  16  -4.295  -3.167 -14.737
  134   1HG   GLU  16          2HG       GLU  16  -5.610  -2.500 -16.739
  135   2HG   GLU  16          1HG       GLU  16  -6.876  -1.881 -15.676
  136    H    CYS  17           H        CYS  17  -4.281  -6.047 -14.157
  137    HA   CYS  17           HA       CYS  17  -2.936  -6.370 -16.644
  138   1HB   CYS  17          2HB       CYS  17  -2.907  -7.899 -14.052
  139   2HB   CYS  17          1HB       CYS  17  -2.006  -8.468 -15.456
  140    HG   CYS  17           HG       CYS  17  -1.217  -6.120 -13.698
  141    H    ALA  18           H        ALA  18  -4.694  -8.875 -14.812
  142    HA   ALA  18           HA       ALA  18  -5.104 -10.467 -17.167
  143   1HB   ALA  18          1HB       ALA  18  -5.070 -11.036 -14.503
  144   2HB   ALA  18          3HB       ALA  18  -6.806 -11.017 -14.815
  145   3HB   ALA  18          2HB       ALA  18  -5.756 -12.100 -15.731
  146    H    GLY  19           H        GLY  19  -7.523  -9.154 -14.895
  147   1HA   GLY  19          2HA       GLY  19  -9.146  -7.527 -16.031
  148   2HA   GLY  19          1HA       GLY  19  -9.376  -8.843 -17.178
  149    H    GLU  20           H        GLU  20 -10.053 -10.961 -16.215
  150    HA   GLU  20           HA       GLU  20 -11.381 -10.905 -13.647
  151   1HB   GLU  20          2HB       GLU  20 -13.634 -11.424 -14.594
  152   2HB   GLU  20          1HB       GLU  20 -13.098  -9.778 -14.931
  153   1HG   GLU  20          2HG       GLU  20 -13.764 -10.372 -17.054
  154   2HG   GLU  20          1HG       GLU  20 -12.104 -10.964 -17.118
  155    H    THR  21           H        THR  21 -12.094 -12.975 -12.973
  156    HA   THR  21           HA       THR  21 -11.377 -15.200 -14.741
  157    HB   THR  21           HB       THR  21  -9.588 -14.613 -13.011
  158    HG1  THR  21           HG1      THR  21  -9.284 -16.805 -12.505
  159   1HG2  THR  21          3HG2      THR  21 -11.590 -14.349 -11.245
  160   2HG2  THR  21          2HG2      THR  21 -11.187 -16.040 -10.950
  161   3HG2  THR  21          1HG2      THR  21  -9.955 -14.795 -10.761
  162    H    ASP  22           H        ASP  22 -12.056 -17.010 -12.426
  163    HA   ASP  22           HA       ASP  22 -14.972 -16.829 -12.715
  164   1HB   ASP  22          2HB       ASP  22 -14.946 -19.205 -11.918
  165   2HB   ASP  22          1HB       ASP  22 -14.071 -18.960 -13.430
  166    H    GLY  23           H        GLY  23 -13.317 -15.224 -10.830
  167   1HA   GLY  23          2HA       GLY  23 -14.748 -14.729  -8.709
  168   2HA   GLY  23          1HA       GLY  23 -14.151 -16.315  -8.226
  169    H    THR  24           H        THR  24 -13.674 -13.276  -7.529
  170    HA   THR  24           HA       THR  24 -10.970 -12.695  -7.965
  171    HB   THR  24           HB       THR  24 -12.771 -11.852  -5.675
  172    HG1  THR  24           HG1      THR  24 -13.616 -10.917  -7.372
  173   1HG2  THR  24          1HG2      THR  24  -9.945 -11.245  -6.334
  174   2HG2  THR  24          3HG2      THR  24 -10.957  -9.846  -5.973
  175   3HG2  THR  24          2HG2      THR  24 -10.788 -11.142  -4.789
  176    H    ASP  25           H        ASP  25 -11.678 -13.027  -4.531
  177    HA   ASP  25           HA       ASP  25 -10.136 -15.475  -4.307
  178   1HB   ASP  25          2HB       ASP  25  -9.111 -12.797  -3.437
  179   2HB   ASP  25          1HB       ASP  25  -8.634 -14.262  -2.577
  180    H    LEU  26           H        LEU  26 -11.095 -12.727  -2.326
  181    HA   LEU  26           HA       LEU  26 -12.785 -14.471  -0.695
  182   1HB   LEU  26          2HB       LEU  26 -11.378 -12.527   0.977
  183   2HB   LEU  26          1HB       LEU  26 -11.600 -14.254   1.224
  184    HG   LEU  26           HG       LEU  26  -9.731 -14.529  -0.564
  185   1HD1  LEU  26          1HD1      LEU  26  -9.738 -11.596  -0.013
  186   2HD1  LEU  26          3HD1      LEU  26  -8.168 -12.385  -0.150
  187   3HD1  LEU  26          2HD1      LEU  26  -9.309 -12.460  -1.489
  188   1HD2  LEU  26          3HD2      LEU  26  -9.379 -13.529   2.260
  189   2HD2  LEU  26          2HD2      LEU  26  -9.207 -15.173   1.646
  190   3HD2  LEU  26          1HD2      LEU  26  -7.981 -13.961   1.277
  191    H    SER  27           H        SER  27 -13.347 -12.425   1.224
  192    HA   SER  27           HA       SER  27 -14.715 -10.440  -0.485
  193   1HB   SER  27          2HB       SER  27 -15.652 -11.859   2.003
  194   2HB   SER  27          1HB       SER  27 -16.389 -10.355   1.457
  195    HG   SER  27           HG       SER  27 -17.530 -11.727   0.306
  196    H    GLY  28           H        GLY  28 -12.052 -10.259   0.795
  197   1HA   GLY  28          2HA       GLY  28 -11.457  -7.858   1.401
  198   2HA   GLY  28          1HA       GLY  28 -12.566  -8.095   2.749
  199    H    ASP  29           H        ASP  29  -9.766  -9.731   1.250
  200    HA   ASP  29           HA       ASP  29  -8.074  -9.572   3.473
  201   1HB   ASP  29          2HB       ASP  29 -10.111 -11.602   3.754
  202   2HB   ASP  29          1HB       ASP  29  -8.532 -12.372   3.647
  203    H    PHE  30           H        PHE  30  -7.792  -9.257   0.767
  204    HA   PHE  30           HA       PHE  30  -6.337 -11.640  -0.182
  205   1HB   PHE  30          2HB       PHE  30  -6.290 -10.397  -2.371
  206   2HB   PHE  30          1HB       PHE  30  -7.898 -10.823  -1.794
  207    HD1  PHE  30           HD2      PHE  30  -5.412  -8.011  -1.763
  208    HD2  PHE  30           HD1      PHE  30  -9.541  -9.176  -1.519
  209    HE1  PHE  30           HE2      PHE  30  -6.084  -5.630  -1.818
  210    HE2  PHE  30           HE1      PHE  30 -10.214  -6.792  -1.568
  211    HZ   PHE  30           HZ       PHE  30  -8.485  -5.017  -1.717
  212    H    LEU  31           H        LEU  31  -5.380  -9.572   1.842
  213    HA   LEU  31           HA       LEU  31  -2.908  -8.839   0.400
  214   1HB   LEU  31          2HB       LEU  31  -4.212  -7.357   2.691
  215   2HB   LEU  31          1HB       LEU  31  -2.694  -6.913   1.908
  216    HG   LEU  31           HG       LEU  31  -5.350  -7.158   0.466
  217   1HD1  LEU  31          1HD1      LEU  31  -5.089  -5.257   2.185
  218   2HD1  LEU  31          3HD1      LEU  31  -3.869  -4.605   1.091
  219   3HD1  LEU  31          2HD1      LEU  31  -5.532  -4.804   0.540
  220   1HD2  LEU  31          3HD2      LEU  31  -2.614  -6.138  -0.358
  221   2HD2  LEU  31          2HD2      LEU  31  -3.465  -7.537  -1.013
  222   3HD2  LEU  31          1HD2      LEU  31  -4.079  -5.911  -1.314
  223    H    ASP  32           H        ASP  32  -2.555 -11.162   1.145
  224    HA   ASP  32           HA       ASP  32  -1.050 -11.054   3.677
  225   1HB   ASP  32          2HB       ASP  32  -2.923 -13.281   2.832
  226   2HB   ASP  32          1HB       ASP  32  -1.784 -13.386   4.176
  227    H    LEU  33           H        LEU  33  -1.749 -12.916   0.735
  228    HA   LEU  33           HA       LEU  33   1.078 -13.138   0.134
  229   1HB   LEU  33          2HB       LEU  33   0.996 -15.627  -0.053
  230   2HB   LEU  33          1HB       LEU  33   0.852 -15.056   1.610
  231    HG   LEU  33           HG       LEU  33  -1.678 -15.396   0.071
  232   1HD1  LEU  33          2HD1      LEU  33   0.211 -17.602   0.782
  233   2HD1  LEU  33          1HD1      LEU  33  -1.512 -17.874   1.048
  234   3HD1  LEU  33          3HD1      LEU  33  -0.918 -17.484  -0.567
  235   1HD2  LEU  33          2HD2      LEU  33  -1.104 -14.729   2.628
  236   2HD2  LEU  33          1HD2      LEU  33  -2.588 -15.567   2.174
  237   3HD2  LEU  33          3HD2      LEU  33  -1.218 -16.480   2.805
  238    H    ARG  34           H        ARG  34  -1.122 -11.863  -1.103
  239    HA   ARG  34           HA       ARG  34  -2.370 -13.312  -3.152
  240   1HB   ARG  34          2HB       ARG  34  -2.856 -10.921  -2.393
  241   2HB   ARG  34          1HB       ARG  34  -1.508 -10.433  -3.419
  242   1HG   ARG  34          2HG       ARG  34  -2.646 -10.865  -5.356
  243   2HG   ARG  34          1HG       ARG  34  -3.492 -12.252  -4.670
  244   1HD   ARG  34          2HD       ARG  34  -5.255 -10.994  -3.990
  245   2HD   ARG  34          1HD       ARG  34  -4.227  -9.672  -3.449
  246    HE   ARG  34           HE       ARG  34  -4.530  -8.660  -5.521
  247   1HH1  ARG  34          1HH2      ARG  34  -3.694 -10.915  -7.292
  248   2HH1  ARG  34          2HH2      ARG  34  -5.153 -11.291  -8.146
  249   1HH2  ARG  34          2HH1      ARG  34  -7.206  -9.609  -5.915
  250   2HH2  ARG  34          1HH1      ARG  34  -7.142 -10.552  -7.366
  251    H    PHE  35           H        PHE  35   0.525 -11.226  -3.411
  252    HA   PHE  35           HA       PHE  35   1.183 -11.767  -6.056
  253   1HB   PHE  35          2HB       PHE  35   2.793 -10.976  -3.656
  254   2HB   PHE  35          1HB       PHE  35   3.630 -11.409  -5.144
  255    HD1  PHE  35           HD2      PHE  35   0.298  -9.720  -4.862
  256    HD2  PHE  35           HD1      PHE  35   4.462  -9.290  -5.861
  257    HE1  PHE  35           HE2      PHE  35  -0.147  -7.457  -5.769
  258    HE2  PHE  35           HE1      PHE  35   4.003  -7.031  -6.758
  259    HZ   PHE  35           HZ       PHE  35   1.714  -6.111  -6.710
  260    H    GLU  36           H        GLU  36   2.146 -13.537  -3.134
  261    HA   GLU  36           HA       GLU  36   3.354 -15.630  -4.819
  262   1HB   GLU  36          2HB       GLU  36   3.489 -15.172  -1.828
  263   2HB   GLU  36          1HB       GLU  36   4.278 -16.497  -2.682
  264   1HG   GLU  36          2HG       GLU  36   4.748 -13.624  -3.476
  265   2HG   GLU  36          1HG       GLU  36   5.691 -14.387  -2.195
  266    H    ASP  37           H        ASP  37   1.093 -16.197  -5.488
  267    HA   ASP  37           HA       ASP  37   0.229 -18.537  -4.169
  268   1HB   ASP  37          2HB       ASP  37  -0.611 -16.886  -2.495
  269   2HB   ASP  37          1HB       ASP  37  -1.623 -16.179  -3.752
  270    H    ILE  38           H        ILE  38  -1.603 -15.882  -5.707
  271    HA   ILE  38           HA       ILE  38  -3.053 -17.580  -7.429
  272    HB   ILE  38           HB       ILE  38  -3.774 -15.284  -6.856
  273   1HG1  ILE  38          2HG1      ILE  38  -3.337 -15.481  -9.843
  274   2HG1  ILE  38          1HG1      ILE  38  -4.488 -16.511  -8.991
  275   1HG2  ILE  38          2HG2      ILE  38  -1.438 -14.491  -8.616
  276   2HG2  ILE  38          1HG2      ILE  38  -2.706 -13.384  -8.090
  277   3HG2  ILE  38          3HG2      ILE  38  -1.639 -14.131  -6.904
  278   1HD1  ILE  38          3HD1      ILE  38  -5.612 -14.479  -8.103
  279   2HD1  ILE  38          2HD1      ILE  38  -4.494 -13.478  -9.031
  280   3HD1  ILE  38          1HD1      ILE  38  -5.636 -14.531  -9.866
  281    H    GLY  39           H        GLY  39   0.040 -15.961  -7.757
  282   1HA   GLY  39          2HA       GLY  39   1.652 -17.184  -9.218
  283   2HA   GLY  39          1HA       GLY  39   0.366 -17.223 -10.419
  284    H    TYR  40           H        TYR  40   1.339 -14.551  -8.299
  285    HA   TYR  40           HA       TYR  40   1.752 -12.899 -10.706
  286   1HB   TYR  40          2HB       TYR  40   0.626 -12.386  -8.054
  287   2HB   TYR  40          1HB       TYR  40   1.861 -11.207  -8.485
  288    HD1  TYR  40           HD2      TYR  40  -1.307 -12.788  -9.646
  289    HD2  TYR  40           HD1      TYR  40   1.472  -9.551 -10.145
  290    HE1  TYR  40           HE2      TYR  40  -2.905 -11.650 -11.163
  291    HE2  TYR  40           HE1      TYR  40  -0.125  -8.414 -11.662
  292    HH   TYR  40           HH       TYR  40  -2.468  -8.382 -12.173
  293    H    ASP  41           H        ASP  41   3.847 -13.972 -11.004
  294    HA   ASP  41           HA       ASP  41   5.947 -13.827  -9.144
  295   1HB   ASP  41          2HB       ASP  41   7.449 -14.094 -11.122
  296   2HB   ASP  41          1HB       ASP  41   6.155 -15.286 -11.060
  297    H    SER  42           H        SER  42   7.719 -12.445  -9.034
  298    HA   SER  42           HA       SER  42   7.107  -9.693  -9.074
  299   1HB   SER  42          2HB       SER  42   9.654  -9.453  -8.787
  300   2HB   SER  42          1HB       SER  42   8.773 -10.341  -7.545
  301    HG   SER  42           HG       SER  42   9.579 -12.199  -8.284
  302    H    LEU  43           H        LEU  43   9.014 -11.694 -11.294
  303    HA   LEU  43           HA       LEU  43   9.970  -9.637 -12.954
  304   1HB   LEU  43          2HB       LEU  43  10.376 -12.298 -12.871
  305   2HB   LEU  43          1HB       LEU  43   9.268 -12.217 -14.241
  306    HG   LEU  43           HG       LEU  43  11.661 -10.387 -14.037
  307   1HD1  LEU  43          2HD1      LEU  43  12.085 -13.009 -13.992
  308   2HD1  LEU  43          1HD1      LEU  43  11.722 -12.869 -15.713
  309   3HD1  LEU  43          3HD1      LEU  43  13.060 -11.955 -15.017
  310   1HD2  LEU  43          3HD2      LEU  43   9.586 -11.101 -16.048
  311   2HD2  LEU  43          2HD2      LEU  43  10.418  -9.568 -15.787
  312   3HD2  LEU  43          1HD2      LEU  43  11.222 -10.868 -16.667
  313    H    ALA  44           H        ALA  44   6.781 -10.921 -12.640
  314    HA   ALA  44           HA       ALA  44   5.951 -10.081 -15.302
  315   1HB   ALA  44          2HB       ALA  44   4.576 -11.421 -12.989
  316   2HB   ALA  44          1HB       ALA  44   3.644 -10.743 -14.323
  317   3HB   ALA  44          3HB       ALA  44   4.823 -12.019 -14.630
  318    H    LEU  45           H        LEU  45   4.949  -9.302 -11.965
  319    HA   LEU  45           HA       LEU  45   3.422  -7.028 -12.722
  320   1HB   LEU  45          2HB       LEU  45   3.400  -6.503 -10.303
  321   2HB   LEU  45          1HB       LEU  45   2.972  -8.180 -10.640
  322    HG   LEU  45           HG       LEU  45   5.682  -8.397 -10.367
  323   1HD1  LEU  45          1HD1      LEU  45   4.747  -6.260  -8.430
  324   2HD1  LEU  45          3HD1      LEU  45   6.300  -7.091  -8.358
  325   3HD1  LEU  45          2HD1      LEU  45   5.926  -6.037  -9.724
  326   1HD2  LEU  45          1HD2      LEU  45   3.338  -8.736  -8.554
  327   2HD2  LEU  45          3HD2      LEU  45   4.486  -9.938  -9.139
  328   3HD2  LEU  45          2HD2      LEU  45   4.941  -8.854  -7.826
  329    H    MET  46           H        MET  46   6.789  -7.426 -12.564
  330    HA   MET  46           HA       MET  46   7.651  -4.963 -11.527
  331   1HB   MET  46          2HB       MET  46   9.030  -7.050 -12.246
  332   2HB   MET  46          1HB       MET  46   9.046  -6.286 -13.835
  333   1HG   MET  46          2HG       MET  46   9.829  -4.160 -12.591
  334   2HG   MET  46          1HG       MET  46  10.181  -5.241 -11.242
  335   1HE   MET  46          1HE       MET  46  12.432  -3.880 -11.722
  336   2HE   MET  46          3HE       MET  46  12.711  -5.462 -10.981
  337   3HE   MET  46          2HE       MET  46  13.748  -4.905 -12.291
  338    H    GLU  47           H        GLU  47   6.388  -5.854 -14.676
  339    HA   GLU  47           HA       GLU  47   7.130  -3.376 -15.952
  340   1HB   GLU  47          2HB       GLU  47   5.201  -5.555 -16.783
  341   2HB   GLU  47          1HB       GLU  47   5.654  -4.179 -17.790
  342   1HG   GLU  47          2HG       GLU  47   7.982  -4.864 -17.781
  343   2HG   GLU  47          1HG       GLU  47   7.638  -6.154 -16.626
  344    H    THR  48           H        THR  48   4.296  -4.646 -14.305
  345    HA   THR  48           HA       THR  48   2.423  -2.700 -15.117
  346    HB   THR  48           HB       THR  48   2.484  -4.039 -12.409
  347    HG1  THR  48           HG1      THR  48   1.275  -5.675 -13.496
  348   1HG2  THR  48          2HG2      THR  48   0.504  -2.553 -14.051
  349   2HG2  THR  48          1HG2      THR  48  -0.094  -3.972 -13.190
  350   3HG2  THR  48          3HG2      THR  48   0.664  -2.653 -12.297
  351    H    ALA  49           H        ALA  49   4.516  -2.842 -12.245
  352    HA   ALA  49           HA       ALA  49   3.732  -0.261 -11.284
  353   1HB   ALA  49          2HB       ALA  49   4.775  -2.247  -9.966
  354   2HB   ALA  49          1HB       ALA  49   6.314  -1.601 -10.535
  355   3HB   ALA  49          3HB       ALA  49   5.251  -0.604  -9.541
  356    H    ALA  50           H        ALA  50   6.191  -1.455 -13.461
  357    HA   ALA  50           HA       ALA  50   7.924   0.792 -13.378
  358   1HB   ALA  50          2HB       ALA  50   7.457  -1.430 -15.339
  359   2HB   ALA  50          1HB       ALA  50   8.490  -0.071 -15.779
  360   3HB   ALA  50          3HB       ALA  50   8.896  -1.070 -14.385
  361    H    ARG  51           H        ARG  51   4.948   0.111 -15.094
  362    HA   ARG  51           HA       ARG  51   5.214   2.376 -16.884
  363   1HB   ARG  51          2HB       ARG  51   3.875   0.122 -17.215
  364   2HB   ARG  51          1HB       ARG  51   2.595   1.016 -16.393
  365   1HG   ARG  51          2HG       ARG  51   2.997   2.895 -18.062
  366   2HG   ARG  51          1HG       ARG  51   4.017   1.768 -18.957
  367   1HD   ARG  51          2HD       ARG  51   1.255   0.917 -18.164
  368   2HD   ARG  51          1HD       ARG  51   1.455   1.988 -19.546
  369    HE   ARG  51           HE       ARG  51   3.209  -0.274 -19.702
  370   1HH1  ARG  51          1HH2      ARG  51   2.149   0.478 -22.214
  371   2HH1  ARG  51          2HH2      ARG  51   0.802  -0.575 -22.495
  372   1HH2  ARG  51          2HH1      ARG  51   0.502  -1.513 -19.171
  373   2HH2  ARG  51          1HH1      ARG  51  -0.130  -1.701 -20.772
  374    H    LEU  52           H        LEU  52   3.094   1.525 -14.149
  375    HA   LEU  52           HA       LEU  52   1.750   4.011 -14.023
  376   1HB   LEU  52          2HB       LEU  52   2.105   1.703 -12.156
  377   2HB   LEU  52          1HB       LEU  52   1.447   3.213 -11.523
  378    HG   LEU  52           HG       LEU  52  -0.169   3.146 -13.525
  379   1HD1  LEU  52          3HD1      LEU  52   1.096   1.404 -14.771
  380   2HD1  LEU  52          2HD1      LEU  52   0.723   0.246 -13.495
  381   3HD1  LEU  52          1HD1      LEU  52  -0.576   0.924 -14.476
  382   1HD2  LEU  52          2HD2      LEU  52  -0.633   2.535 -11.064
  383   2HD2  LEU  52          1HD2      LEU  52  -1.750   1.892 -12.267
  384   3HD2  LEU  52          3HD2      LEU  52  -0.501   0.854 -11.582
  385    H    GLU  53           H        GLU  53   4.935   3.114 -13.060
  386    HA   GLU  53           HA       GLU  53   5.389   4.789 -10.871
  387   1HB   GLU  53          2HB       GLU  53   6.977   3.060 -11.776
  388   2HB   GLU  53          1HB       GLU  53   7.391   4.200 -13.057
  389   1HG   GLU  53          2HG       GLU  53   8.536   5.591 -11.638
  390   2HG   GLU  53          1HG       GLU  53   7.470   5.249 -10.275
  391    H    SER  54           H        SER  54   4.913   5.597 -14.212
  392    HA   SER  54           HA       SER  54   6.298   8.067 -14.271
  393   1HB   SER  54          2HB       SER  54   3.955   7.022 -15.863
  394   2HB   SER  54          1HB       SER  54   4.678   8.602 -16.158
  395    HG   SER  54           HG       SER  54   5.472   6.486 -17.255
  396    H    ARG  55           H        ARG  55   2.786   7.475 -13.974
  397    HA   ARG  55           HA       ARG  55   2.107  10.124 -13.318
  398   1HB   ARG  55          2HB       ARG  55   0.005   9.139 -12.398
  399   2HB   ARG  55          1HB       ARG  55   0.393   8.569 -14.021
  400   1HG   ARG  55          2HG       ARG  55   1.168   6.471 -13.218
  401   2HG   ARG  55          1HG       ARG  55   1.248   7.051 -11.554
  402   1HD   ARG  55          2HD       ARG  55  -0.747   5.598 -12.011
  403   2HD   ARG  55          1HD       ARG  55  -1.158   7.203 -11.417
  404    HE   ARG  55           HE       ARG  55  -1.316   6.439 -14.280
  405   1HH1  ARG  55          1HH2      ARG  55  -1.580   9.351 -13.707
  406   2HH1  ARG  55          2HH2      ARG  55  -3.289   9.556 -13.520
  407   1HH2  ARG  55          2HH1      ARG  55  -3.915   6.176 -13.074
  408   2HH2  ARG  55          1HH1      ARG  55  -4.611   7.759 -13.162
  409    H    TYR  56           H        TYR  56   3.341   7.502 -11.367
  410    HA   TYR  56           HA       TYR  56   3.215   9.276  -9.002
  411   1HB   TYR  56          2HB       TYR  56   2.947   6.262  -9.123
  412   2HB   TYR  56          1HB       TYR  56   3.163   7.173  -7.628
  413    HD1  TYR  56           HD1      TYR  56   1.531   9.496  -7.824
  414    HD2  TYR  56           HD2      TYR  56   0.737   5.559  -9.353
  415    HE1  TYR  56           HE1      TYR  56  -0.903   9.959  -7.753
  416    HE2  TYR  56           HE2      TYR  56  -1.697   6.025  -9.284
  417    HH   TYR  56           HH       TYR  56  -2.973   9.093  -8.962
  418    H    GLY  57           H        GLY  57   5.326   9.579 -10.637
  419   1HA   GLY  57          2HA       GLY  57   7.513   7.857  -9.738
  420   2HA   GLY  57          1HA       GLY  57   7.616   9.122 -10.958
  421    H    VAL  58           H        VAL  58   6.493   9.158  -7.572
  422    HA   VAL  58           HA       VAL  58   7.875  11.630  -7.062
  423    HB   VAL  58           HB       VAL  58   5.686  11.103  -6.026
  424   1HG1  VAL  58          1HG1      VAL  58   6.122   8.657  -5.701
  425   2HG1  VAL  58          3HG1      VAL  58   7.228   9.070  -4.392
  426   3HG1  VAL  58          2HG1      VAL  58   5.514   9.454  -4.251
  427   1HG2  VAL  58          2HG2      VAL  58   7.268  12.691  -4.961
  428   2HG2  VAL  58          1HG2      VAL  58   6.265  11.856  -3.773
  429   3HG2  VAL  58          3HG2      VAL  58   7.940  11.360  -4.019
  430    H    SER  59           H        SER  59   8.226   8.240  -6.125
  431    HA   SER  59           HA       SER  59  10.880   8.868  -4.976
  432   1HB   SER  59          2HB       SER  59   8.939   7.647  -3.637
  433   2HB   SER  59          1HB       SER  59   9.537   6.239  -4.509
  434    HG   SER  59           HG       SER  59  10.718   7.758  -2.516
  435    H    ILE  60           H        ILE  60  12.053   6.421  -5.010
  436    HA   ILE  60           HA       ILE  60  11.993   5.550  -7.827
  437    HB   ILE  60           HB       ILE  60  13.840   7.164  -7.570
  438   1HG1  ILE  60          2HG1      ILE  60  15.279   4.559  -7.696
  439   2HG1  ILE  60          1HG1      ILE  60  13.941   4.778  -8.825
  440   1HG2  ILE  60          3HG2      ILE  60  14.092   6.321  -5.041
  441   2HG2  ILE  60          2HG2      ILE  60  15.323   5.294  -5.779
  442   3HG2  ILE  60          1HG2      ILE  60  15.439   7.049  -5.918
  443   1HD1  ILE  60          3HD1      ILE  60  16.267   6.694  -8.476
  444   2HD1  ILE  60          2HD1      ILE  60  16.079   5.550  -9.806
  445   3HD1  ILE  60          1HD1      ILE  60  14.938   6.882  -9.620
  446    HA   PRO  61           HA       PRO  61  12.241   1.987  -4.815
  447   1HB   PRO  61          2HB       PRO  61   9.760   0.929  -5.246
  448   2HB   PRO  61          1HB       PRO  61  10.102   2.159  -4.019
  449   1HG   PRO  61          2HG       PRO  61   8.692   2.428  -6.604
  450   2HG   PRO  61          1HG       PRO  61   8.556   3.409  -5.138
  451   1HD   PRO  61          2HD       PRO  61  10.004   4.069  -7.501
  452   2HD   PRO  61          1HD       PRO  61  10.030   4.945  -5.952
  453    H    ASP  62           H        ASP  62  13.775   1.177  -6.376
  454    HA   ASP  62           HA       ASP  62  12.656  -0.337  -8.641
  455   1HB   ASP  62          2HB       ASP  62  15.355   0.785  -8.002
  456   2HB   ASP  62          1HB       ASP  62  15.241  -0.606  -9.081
  457    H    ASP  63           H        ASP  63  14.545  -0.717  -5.687
  458    HA   ASP  63           HA       ASP  63  14.925  -3.567  -6.160
  459   1HB   ASP  63          2HB       ASP  63  16.050  -3.516  -3.931
  460   2HB   ASP  63          1HB       ASP  63  16.750  -2.390  -5.092
  461    H    VAL  64           H        VAL  64  13.136  -1.472  -3.918
  462    HA   VAL  64           HA       VAL  64  11.985  -3.599  -2.420
  463    HB   VAL  64           HB       VAL  64  12.138  -1.278  -1.576
  464   1HG1  VAL  64          3HG1      VAL  64  11.555  -0.213  -3.792
  465   2HG1  VAL  64          2HG1      VAL  64   9.874  -0.655  -3.486
  466   3HG1  VAL  64          1HG1      VAL  64  10.702   0.465  -2.405
  467   1HG2  VAL  64          3HG2      VAL  64  10.485  -2.845  -0.615
  468   2HG2  VAL  64          2HG2      VAL  64   9.879  -1.189  -0.590
  469   3HG2  VAL  64          1HG2      VAL  64   9.299  -2.322  -1.810
  470    H    ALA  65           H        ALA  65  10.846  -1.675  -5.168
  471    HA   ALA  65           HA       ALA  65   8.347  -3.147  -5.327
  472   1HB   ALA  65          1HB       ALA  65   8.583  -0.700  -5.929
  473   2HB   ALA  65          3HB       ALA  65   9.478  -1.217  -7.359
  474   3HB   ALA  65          2HB       ALA  65   7.794  -1.699  -7.150
  475    H    GLY  66           H        GLY  66  11.495  -3.161  -6.856
  476   1HA   GLY  66          2HA       GLY  66  10.845  -4.681  -9.154
  477   2HA   GLY  66          1HA       GLY  66  12.445  -4.548  -8.430
  478    H    ARG  67           H        ARG  67  11.514  -5.562  -5.825
  479    HA   ARG  67           HA       ARG  67  11.044  -8.393  -6.553
  480   1HB   ARG  67          2HB       ARG  67  13.087  -7.194  -4.709
  481   2HB   ARG  67          1HB       ARG  67  12.476  -8.822  -4.409
  482   1HG   ARG  67          2HG       ARG  67  12.972  -8.988  -7.073
  483   2HG   ARG  67          1HG       ARG  67  14.213  -7.828  -6.600
  484   1HD   ARG  67          2HD       ARG  67  13.761 -10.553  -5.353
  485   2HD   ARG  67          1HD       ARG  67  15.077 -10.121  -6.440
  486    HE   ARG  67           HE       ARG  67  14.780  -8.683  -3.879
  487   1HH1  ARG  67          2HH1      ARG  67  16.167 -11.507  -5.089
  488   2HH1  ARG  67          1HH1      ARG  67  17.783 -11.151  -4.578
  489   1HH2  ARG  67          1HH2      ARG  67  17.042  -7.906  -3.602
  490   2HH2  ARG  67          2HH2      ARG  67  18.278  -9.112  -3.736
  491    H    VAL  68           H        VAL  68   8.978  -6.643  -5.882
  492    HA   VAL  68           HA       VAL  68   8.315  -6.680  -3.119
  493    HB   VAL  68           HB       VAL  68   7.247  -5.134  -4.722
  494   1HG1  VAL  68          1HG1      VAL  68   7.121  -6.946  -6.545
  495   2HG1  VAL  68          3HG1      VAL  68   5.654  -7.491  -5.734
  496   3HG1  VAL  68          2HG1      VAL  68   5.737  -5.862  -6.402
  497   1HG2  VAL  68          1HG2      VAL  68   6.099  -5.808  -2.587
  498   2HG2  VAL  68          3HG2      VAL  68   4.983  -5.321  -3.863
  499   3HG2  VAL  68          2HG2      VAL  68   5.220  -7.032  -3.504
  500    H    ASP  69           H        ASP  69   7.609  -8.294  -1.876
  501    HA   ASP  69           HA       ASP  69   6.892 -10.838  -3.173
  502   1HB   ASP  69          2HB       ASP  69   7.239 -11.817  -0.909
  503   2HB   ASP  69          1HB       ASP  69   8.677 -11.012  -1.538
  504    H    THR  70           H        THR  70   5.676  -8.390  -0.962
  505    HA   THR  70           HA       THR  70   3.134  -9.876  -0.733
  506    HB   THR  70           HB       THR  70   2.705  -7.998   1.031
  507    HG1  THR  70           HG1      THR  70   4.674  -7.273   1.930
  508   1HG2  THR  70          2HG2      THR  70   4.382 -10.457   1.191
  509   2HG2  THR  70          1HG2      THR  70   4.353  -9.403   2.605
  510   3HG2  THR  70          3HG2      THR  70   2.851 -10.085   1.984
  511    HA   PRO  71           HA       PRO  71   1.160  -6.865  -3.299
  512   1HB   PRO  71          2HB       PRO  71  -1.411  -7.042  -2.393
  513   2HB   PRO  71          1HB       PRO  71  -0.636  -8.282  -3.392
  514   1HG   PRO  71          2HG       PRO  71  -1.239  -8.309  -0.487
  515   2HG   PRO  71          1HG       PRO  71  -1.136  -9.657  -1.628
  516   1HD   PRO  71          2HD       PRO  71   0.848  -8.913   0.226
  517   2HD   PRO  71          1HD       PRO  71   1.077 -10.003  -1.161
  518    H    ARG  72           H        ARG  72   0.267  -6.667   0.134
  519    HA   ARG  72           HA       ARG  72  -0.653  -3.991   0.113
  520   1HB   ARG  72          2HB       ARG  72  -0.742  -5.920   1.959
  521   2HB   ARG  72          1HB       ARG  72   0.671  -5.050   2.558
  522   1HG   ARG  72          2HG       ARG  72  -0.660  -2.931   2.471
  523   2HG   ARG  72          1HG       ARG  72  -2.077  -3.886   2.033
  524   1HD   ARG  72          2HD       ARG  72  -0.447  -4.430   4.518
  525   2HD   ARG  72          1HD       ARG  72  -1.831  -3.342   4.511
  526    HE   ARG  72           HE       ARG  72  -2.022  -6.217   3.802
  527   1HH1  ARG  72          1HH2      ARG  72  -4.083  -3.715   3.676
  528   2HH1  ARG  72          2HH2      ARG  72  -5.176  -4.235   4.915
  529   1HH2  ARG  72          2HH1      ARG  72  -3.070  -6.726   6.093
  530   2HH2  ARG  72          1HH1      ARG  72  -4.602  -5.940   6.284
  531    H    GLU  73           H        GLU  73   2.524  -5.283  -0.131
  532    HA   GLU  73           HA       GLU  73   3.994  -3.214   1.131
  533   1HB   GLU  73          2HB       GLU  73   4.563  -5.613  -0.301
  534   2HB   GLU  73          1HB       GLU  73   5.470  -4.317  -1.077
  535   1HG   GLU  73          2HG       GLU  73   5.468  -4.801   1.913
  536   2HG   GLU  73          1HG       GLU  73   6.694  -5.440   0.818
  537    H    LEU  74           H        LEU  74   3.560  -3.844  -2.355
  538    HA   LEU  74           HA       LEU  74   4.652  -1.504  -3.332
  539   1HB   LEU  74          2HB       LEU  74   3.228  -1.845  -5.352
  540   2HB   LEU  74          1HB       LEU  74   4.095  -3.291  -4.846
  541    HG   LEU  74           HG       LEU  74   1.445  -3.032  -3.599
  542   1HD1  LEU  74          1HD1      LEU  74   1.754  -3.137  -6.598
  543   2HD1  LEU  74          3HD1      LEU  74   0.351  -3.836  -5.791
  544   3HD1  LEU  74          2HD1      LEU  74   0.683  -2.110  -5.645
  545   1HD2  LEU  74          2HD2      LEU  74   3.030  -5.138  -5.070
  546   2HD2  LEU  74          1HD2      LEU  74   2.543  -5.123  -3.375
  547   3HD2  LEU  74          3HD2      LEU  74   1.343  -5.400  -4.631
  548    H    LEU  75           H        LEU  75   1.460  -2.001  -1.977
  549    HA   LEU  75           HA       LEU  75   0.306   0.448  -2.868
  550   1HB   LEU  75          2HB       LEU  75  -1.026  -1.460  -2.014
  551   2HB   LEU  75          1HB       LEU  75  -0.371  -1.179  -0.403
  552    HG   LEU  75           HG       LEU  75  -1.266   1.298  -0.884
  553   1HD1  LEU  75          1HD1      LEU  75  -2.591  -0.453  -2.878
  554   2HD1  LEU  75          3HD1      LEU  75  -3.652   0.636  -1.985
  555   3HD1  LEU  75          2HD1      LEU  75  -2.307   1.288  -2.918
  556   1HD2  LEU  75          3HD2      LEU  75  -2.693  -1.152   0.119
  557   2HD2  LEU  75          2HD2      LEU  75  -2.054   0.213   1.035
  558   3HD2  LEU  75          1HD2      LEU  75  -3.529   0.402   0.085
  559    H    ASP  76           H        ASP  76   1.765  -0.512   0.239
  560    HA   ASP  76           HA       ASP  76   1.588   2.075   1.397
  561   1HB   ASP  76          2HB       ASP  76   1.970  -0.249   2.525
  562   2HB   ASP  76          1HB       ASP  76   3.676   0.093   2.232
  563    H    LEU  77           H        LEU  77   3.698   0.843  -1.000
  564    HA   LEU  77           HA       LEU  77   5.978   2.473  -0.297
  565   1HB   LEU  77          2HB       LEU  77   5.282   0.877  -2.765
  566   2HB   LEU  77          1HB       LEU  77   6.763   1.822  -2.618
  567    HG   LEU  77           HG       LEU  77   5.941  -0.268  -0.593
  568   1HD1  LEU  77          2HD1      LEU  77   6.531  -0.887  -3.176
  569   2HD1  LEU  77          1HD1      LEU  77   8.153  -0.836  -2.487
  570   3HD1  LEU  77          3HD1      LEU  77   6.942  -1.924  -1.811
  571   1HD2  LEU  77          1HD2      LEU  77   7.812   1.745  -0.434
  572   2HD2  LEU  77          3HD2      LEU  77   7.898   0.231   0.464
  573   3HD2  LEU  77          2HD2      LEU  77   8.781   0.410  -1.052
  574    H    ILE  78           H        ILE  78   3.655   2.517  -3.007
  575    HA   ILE  78           HA       ILE  78   4.511   5.070  -3.961
  576    HB   ILE  78           HB       ILE  78   1.852   3.704  -4.450
  577   1HG1  ILE  78          2HG1      ILE  78   4.349   3.568  -6.157
  578   2HG1  ILE  78          1HG1      ILE  78   3.961   2.338  -4.955
  579   1HG2  ILE  78          1HG2      ILE  78   3.326   6.019  -5.666
  580   2HG2  ILE  78          3HG2      ILE  78   2.314   5.012  -6.703
  581   3HG2  ILE  78          2HG2      ILE  78   1.605   5.849  -5.321
  582   1HD1  ILE  78          2HD1      ILE  78   1.851   3.121  -6.930
  583   2HD1  ILE  78          1HD1      ILE  78   3.158   2.063  -7.464
  584   3HD1  ILE  78          3HD1      ILE  78   2.114   1.572  -6.129
  585    H    ASN  79           H        ASN  79   1.672   4.031  -2.112
  586    HA   ASN  79           HA       ASN  79   0.437   6.515  -1.781
  587   1HB   ASN  79          2HB       ASN  79  -0.158   3.971  -1.034
  588   2HB   ASN  79          1HB       ASN  79   0.283   4.663   0.524
  589   1HD2  ASN  79          2HD2      ASN  79  -3.351   5.302  -0.063
  590   2HD2  ASN  79          1HD2      ASN  79  -2.385   3.911   0.060
  591    H    GLY  80           H        GLY  80   3.143   5.068  -0.093
  592   1HA   GLY  80          2HA       GLY  80   3.134   6.847   2.147
  593   2HA   GLY  80          1HA       GLY  80   4.465   5.809   1.652
  594    H    ALA  81           H        ALA  81   5.351   6.624  -0.647
  595    HA   ALA  81           HA       ALA  81   6.784   8.969  -0.176
  596   1HB   ALA  81          2HB       ALA  81   7.313   7.175  -1.881
  597   2HB   ALA  81          1HB       ALA  81   6.103   7.919  -2.924
  598   3HB   ALA  81          3HB       ALA  81   7.531   8.832  -2.440
  599    H    LEU  82           H        LEU  82   3.598   8.539  -1.516
  600    HA   LEU  82           HA       LEU  82   3.421  11.171  -2.681
  601   1HB   LEU  82          2HB       LEU  82   2.021   8.934  -3.136
  602   2HB   LEU  82          1HB       LEU  82   0.967   9.654  -1.921
  603    HG   LEU  82           HG       LEU  82   0.268  10.343  -4.166
  604   1HD1  LEU  82          2HD1      LEU  82   0.291  11.952  -2.125
  605   2HD1  LEU  82          1HD1      LEU  82   1.614  12.756  -2.968
  606   3HD1  LEU  82          3HD1      LEU  82   0.025  12.640  -3.726
  607   1HD2  LEU  82          3HD2      LEU  82   2.868  10.221  -4.869
  608   2HD2  LEU  82          2HD2      LEU  82   1.686  11.162  -5.777
  609   3HD2  LEU  82          1HD2      LEU  82   2.730  11.958  -4.600
  610    H    ALA  83           H        ALA  83   2.434   9.605   0.315
  611    HA   ALA  83           HA       ALA  83   0.879  11.681   1.402
  612   1HB   ALA  83          1HB       ALA  83   2.472   9.439   2.619
  613   2HB   ALA  83          3HB       ALA  83   1.669  10.634   3.639
  614   3HB   ALA  83          2HB       ALA  83   0.721   9.635   2.537
  615    H    GLU  84           H        GLU  84   4.347  11.145   1.318
  616    HA   GLU  84           HA       GLU  84   5.040  13.170   3.212
  617   1HB   GLU  84          2HB       GLU  84   6.458  11.180   2.157
  618   2HB   GLU  84          1HB       GLU  84   6.921  12.440   1.013
  619   1HG   GLU  84          2HG       GLU  84   7.351  13.891   3.129
  620   2HG   GLU  84          1HG       GLU  84   7.360  12.352   3.992
  621    H    ALA  85           H        ALA  85   4.450  13.113  -0.243
  622    HA   ALA  85           HA       ALA  85   5.580  15.604  -0.927
  623   1HB   ALA  85          1HB       ALA  85   4.552  13.690  -2.423
  624   2HB   ALA  85          3HB       ALA  85   3.080  14.649  -2.268
  625   3HB   ALA  85          2HB       ALA  85   4.528  15.364  -2.976
  626    H    ALA  86           HN       ALA  86   2.504  14.718   0.502
  627    HA   ALA  86           HA       ALA  86   1.278  17.295   0.170
  628   1HB   ALA  86          1HB       ALA  86  -0.079  15.265   0.468
  629   2HB   ALA  86          3HB       ALA  86   0.595  15.048   2.082
  630   3HB   ALA  86          2HB       ALA  86  -0.423  16.445   1.732
   
  No H/Q in entry =         630
  Start of MODEL    3
    1   1H    MET   1          3H        MET   1  -7.751  17.490   2.701
    2   2H    MET   1          2H        MET   1  -7.107  18.323   1.367
    3   3H    MET   1          1H        MET   1  -8.456  17.310   1.169
    4    HA   MET   1           HA       MET   1  -6.839  15.928   0.393
    5   1HB   MET   1          2HB       MET   1  -4.544  15.885   1.376
    6   2HB   MET   1          1HB       MET   1  -4.983  17.472   0.747
    7   1HG   MET   1          2HG       MET   1  -4.202  18.135   2.806
    8   2HG   MET   1          1HG       MET   1  -5.866  17.781   3.264
    9   1HE   MET   1          1HE       MET   1  -2.536  16.593   2.568
   10   2HE   MET   1          3HE       MET   1  -2.046  16.657   4.268
   11   3HE   MET   1          2HE       MET   1  -2.249  15.102   3.464
   12    H    ALA   2           H        ALA   2  -6.451  13.793   1.010
   13    HA   ALA   2           HA       ALA   2  -6.753  13.044   3.818
   14   1HB   ALA   2          3HB       ALA   2  -8.695  12.178   1.666
   15   2HB   ALA   2          2HB       ALA   2  -8.547  11.383   3.234
   16   3HB   ALA   2          1HB       ALA   2  -9.067  13.066   3.144
   17    H    THR   3           H        THR   3  -7.044  11.422   0.654
   18    HA   THR   3           HA       THR   3  -4.481  10.106   0.990
   19    HB   THR   3           HB       THR   3  -6.873   8.298   0.739
   20    HG1  THR   3           HG1      THR   3  -7.295   8.994   2.698
   21   1HG2  THR   3          1HG2      THR   3  -4.558   7.519   0.162
   22   2HG2  THR   3          3HG2      THR   3  -4.079   7.855   1.825
   23   3HG2  THR   3          2HG2      THR   3  -5.293   6.621   1.489
   24    H    LEU   4           H        LEU   4  -3.732   9.141  -0.911
   25    HA   LEU   4           HA       LEU   4  -5.312   9.820  -3.316
   26   1HB   LEU   4          2HB       LEU   4  -2.371   9.755  -2.746
   27   2HB   LEU   4          1HB       LEU   4  -2.934   9.465  -4.393
   28    HG   LEU   4           HG       LEU   4  -4.279  11.589  -4.227
   29   1HD1  LEU   4          3HD1      LEU   4  -2.777  11.725  -1.608
   30   2HD1  LEU   4          2HD1      LEU   4  -3.411  13.169  -2.397
   31   3HD1  LEU   4          1HD1      LEU   4  -4.511  11.892  -1.878
   32   1HD2  LEU   4          1HD2      LEU   4  -1.810  11.295  -5.099
   33   2HD2  LEU   4          3HD2      LEU   4  -2.471  12.917  -4.887
   34   3HD2  LEU   4          2HD2      LEU   4  -1.397  12.235  -3.665
   35    H    LEU   5           H        LEU   5  -2.895   7.423  -2.229
   36    HA   LEU   5           HA       LEU   5  -3.965   5.473  -4.129
   37   1HB   LEU   5          2HB       LEU   5  -1.449   5.852  -2.681
   38   2HB   LEU   5          1HB       LEU   5  -2.016   4.186  -2.615
   39    HG   LEU   5           HG       LEU   5  -0.550   4.617  -4.583
   40   1HD1  LEU   5          2HD1      LEU   5  -2.455   2.927  -4.572
   41   2HD1  LEU   5          1HD1      LEU   5  -3.396   4.117  -5.471
   42   3HD1  LEU   5          3HD1      LEU   5  -1.914   3.462  -6.164
   43   1HD2  LEU   5          2HD2      LEU   5  -1.731   7.033  -4.768
   44   2HD2  LEU   5          1HD2      LEU   5  -0.975   6.245  -6.152
   45   3HD2  LEU   5          3HD2      LEU   5  -2.721   6.151  -5.931
   46    H    THR   6           H        THR   6  -5.184   3.742  -3.589
   47    HA   THR   6           HA       THR   6  -5.664   3.245  -0.716
   48    HB   THR   6           HB       THR   6  -7.604   4.445  -1.425
   49    HG1  THR   6           HG1      THR   6  -9.037   2.973  -0.854
   50   1HG2  THR   6          2HG2      THR   6  -7.169   2.926  -3.923
   51   2HG2  THR   6          1HG2      THR   6  -8.856   3.140  -3.460
   52   3HG2  THR   6          3HG2      THR   6  -7.818   4.547  -3.691
   53    H    THR   7           H        THR   7  -6.754   1.125  -0.343
   54    HA   THR   7           HA       THR   7  -5.223  -0.996  -1.341
   55    HB   THR   7           HB       THR   7  -8.011  -1.197  -0.180
   56    HG1  THR   7           HG1      THR   7  -5.467  -1.020   1.055
   57   1HG2  THR   7          2HG2      THR   7  -6.990  -3.244  -1.230
   58   2HG2  THR   7          1HG2      THR   7  -5.677  -3.118  -0.059
   59   3HG2  THR   7          3HG2      THR   7  -7.327  -3.408   0.493
   60    H    ASP   8           H        ASP   8  -8.443   0.161  -2.263
   61    HA   ASP   8           HA       ASP   8  -9.081  -1.860  -4.117
   62   1HB   ASP   8          2HB       ASP   8  -9.949   0.987  -3.753
   63   2HB   ASP   8          1HB       ASP   8 -10.428   0.114  -5.209
   64    H    ASP   9           H        ASP   9  -7.071   0.996  -4.358
   65    HA   ASP   9           HA       ASP   9  -6.836   1.133  -7.172
   66   1HB   ASP   9          2HB       ASP   9  -6.065   2.918  -5.568
   67   2HB   ASP   9          1HB       ASP   9  -4.702   1.877  -5.157
   68    H    LEU  10           H        LEU  10  -4.664  -0.343  -4.737
   69    HA   LEU  10           HA       LEU  10  -2.898  -1.501  -6.592
   70   1HB   LEU  10          2HB       LEU  10  -1.880  -2.551  -4.802
   71   2HB   LEU  10          1HB       LEU  10  -2.738  -1.265  -3.967
   72    HG   LEU  10           HG       LEU  10  -4.653  -3.199  -3.937
   73   1HD1  LEU  10          2HD1      LEU  10  -2.696  -4.646  -5.013
   74   2HD1  LEU  10          1HD1      LEU  10  -2.194  -4.794  -3.329
   75   3HD1  LEU  10          3HD1      LEU  10  -3.794  -5.349  -3.823
   76   1HD2  LEU  10          1HD2      LEU  10  -3.568  -1.859  -2.040
   77   2HD2  LEU  10          3HD2      LEU  10  -4.107  -3.489  -1.633
   78   3HD2  LEU  10          2HD2      LEU  10  -2.396  -3.171  -1.924
   79    H    ARG  11           H        ARG  11  -6.038  -2.505  -5.483
   80    HA   ARG  11           HA       ARG  11  -5.961  -5.221  -6.277
   81   1HB   ARG  11          2HB       ARG  11  -7.790  -3.641  -4.999
   82   2HB   ARG  11          1HB       ARG  11  -8.545  -3.820  -6.579
   83   1HG   ARG  11          2HG       ARG  11  -8.294  -6.281  -6.411
   84   2HG   ARG  11          1HG       ARG  11  -7.586  -6.087  -4.807
   85   1HD   ARG  11          2HD       ARG  11  -9.592  -5.544  -3.833
   86   2HD   ARG  11          1HD       ARG  11 -10.204  -4.757  -5.283
   87    HE   ARG  11           HE       ARG  11 -11.012  -6.832  -6.026
   88   1HH1  ARG  11          2HH1      ARG  11 -10.520  -6.952  -2.759
   89   2HH1  ARG  11          1HH1      ARG  11 -10.312  -8.668  -2.638
   90   1HH2  ARG  11          1HH2      ARG  11 -10.104  -9.153  -6.065
   91   2HH2  ARG  11          2HH2      ARG  11 -10.078  -9.914  -4.509
   92    H    ARG  12           H        ARG  12  -6.911  -2.247  -7.922
   93    HA   ARG  12           HA       ARG  12  -7.795  -3.448 -10.336
   94   1HB   ARG  12          2HB       ARG  12  -7.159  -0.714  -9.403
   95   2HB   ARG  12          1HB       ARG  12  -6.977  -0.973 -11.138
   96   1HG   ARG  12          2HG       ARG  12  -9.309  -2.120 -10.981
   97   2HG   ARG  12          1HG       ARG  12  -9.447  -1.272  -9.439
   98   1HD   ARG  12          2HD       ARG  12 -10.407   0.026 -11.341
   99   2HD   ARG  12          1HD       ARG  12  -9.095   0.871 -10.528
  100    HE   ARG  12           HE       ARG  12  -7.728   0.506 -12.433
  101   1HH1  ARG  12          1HH2      ARG  12  -7.752  -1.692 -13.882
  102   2HH1  ARG  12          2HH2      ARG  12  -9.012  -1.614 -15.069
  103   1HH2  ARG  12          2HH1      ARG  12 -10.718   0.948 -13.471
  104   2HH2  ARG  12          1HH1      ARG  12 -10.691  -0.117 -14.835
  105    H    ALA  13           H        ALA  13  -4.642  -2.528  -9.126
  106    HA   ALA  13           HA       ALA  13  -3.317  -2.699 -11.680
  107   1HB   ALA  13          2HB       ALA  13  -2.386  -2.476  -8.831
  108   2HB   ALA  13          1HB       ALA  13  -1.241  -2.821 -10.126
  109   3HB   ALA  13          3HB       ALA  13  -2.182  -1.331 -10.157
  110    H    LEU  14           H        LEU  14  -4.102  -4.922  -9.102
  111    HA   LEU  14           HA       LEU  14  -2.275  -6.978 -10.042
  112   1HB   LEU  14          2HB       LEU  14  -4.126  -6.629  -7.753
  113   2HB   LEU  14          1HB       LEU  14  -3.887  -8.285  -8.306
  114    HG   LEU  14           HG       LEU  14  -1.402  -6.699  -8.107
  115   1HD1  LEU  14          3HD1      LEU  14  -3.178  -6.280  -6.037
  116   2HD1  LEU  14          2HD1      LEU  14  -2.254  -7.664  -5.453
  117   3HD1  LEU  14          1HD1      LEU  14  -1.423  -6.172  -5.896
  118   1HD2  LEU  14          3HD2      LEU  14  -2.368  -9.465  -7.800
  119   2HD2  LEU  14          2HD2      LEU  14  -0.783  -8.883  -8.311
  120   3HD2  LEU  14          1HD2      LEU  14  -1.166  -9.012  -6.594
  121    H    VAL  15           H        VAL  15  -5.575  -6.038 -10.591
  122    HA   VAL  15           HA       VAL  15  -6.316  -8.645 -11.677
  123    HB   VAL  15           HB       VAL  15  -7.921  -6.077 -11.641
  124   1HG1  VAL  15          3HG1      VAL  15  -8.573  -8.982 -12.182
  125   2HG1  VAL  15          2HG1      VAL  15  -9.813  -7.798 -11.769
  126   3HG1  VAL  15          1HG1      VAL  15  -8.851  -7.593 -13.233
  127   1HG2  VAL  15          2HG2      VAL  15  -7.083  -7.300  -9.397
  128   2HG2  VAL  15          1HG2      VAL  15  -8.699  -6.608  -9.534
  129   3HG2  VAL  15          3HG2      VAL  15  -8.458  -8.339  -9.767
  130    H    GLU  16           H        GLU  16  -5.346  -5.470 -12.775
  131    HA   GLU  16           HA       GLU  16  -6.229  -5.576 -15.438
  132   1HB   GLU  16          2HB       GLU  16  -5.107  -3.628 -14.135
  133   2HB   GLU  16          1HB       GLU  16  -3.593  -4.341 -14.693
  134   1HG   GLU  16          2HG       GLU  16  -4.498  -4.266 -17.037
  135   2HG   GLU  16          1HG       GLU  16  -5.891  -3.377 -16.418
  136    H    CYS  17           H        CYS  17  -3.517  -7.094 -13.842
  137    HA   CYS  17           HA       CYS  17  -1.960  -7.749 -16.097
  138   1HB   CYS  17          2HB       CYS  17  -2.284  -9.308 -13.522
  139   2HB   CYS  17          1HB       CYS  17  -0.971  -9.488 -14.683
  140    HG   CYS  17           HG       CYS  17   0.068  -7.351 -13.886
  141    H    ALA  18           H        ALA  18  -4.417  -9.664 -14.362
  142    HA   ALA  18           HA       ALA  18  -4.560 -11.476 -16.688
  143   1HB   ALA  18          2HB       ALA  18  -5.367 -11.806 -13.799
  144   2HB   ALA  18          1HB       ALA  18  -5.895 -12.922 -15.059
  145   3HB   ALA  18          3HB       ALA  18  -4.176 -12.735 -14.711
  146    H    GLY  19           H        GLY  19  -6.879 -10.381 -14.214
  147   1HA   GLY  19          2HA       GLY  19  -8.726  -8.883 -14.892
  148   2HA   GLY  19          1HA       GLY  19  -8.799  -9.799 -16.396
  149    H    GLU  20           H        GLU  20 -11.030 -10.205 -15.954
  150    HA   GLU  20           HA       GLU  20 -12.766 -11.557 -15.295
  151   1HB   GLU  20          2HB       GLU  20 -10.367 -13.228 -14.798
  152   2HB   GLU  20          1HB       GLU  20 -11.835 -13.714 -13.951
  153   1HG   GLU  20          2HG       GLU  20 -13.051 -13.960 -15.982
  154   2HG   GLU  20          1HG       GLU  20 -11.820 -13.104 -16.910
  155    H    THR  21           H        THR  21 -14.155 -11.530 -13.614
  156    HA   THR  21           HA       THR  21 -13.523 -11.768 -10.895
  157    HB   THR  21           HB       THR  21 -12.346  -9.655 -11.068
  158    HG1  THR  21           HG1      THR  21 -13.244  -9.162  -9.259
  159   1HG2  THR  21          2HG2      THR  21 -13.991  -9.059 -13.120
  160   2HG2  THR  21          1HG2      THR  21 -14.782  -8.142 -11.840
  161   3HG2  THR  21          3HG2      THR  21 -13.092  -7.829 -12.231
  162    H    ASP  22           H        ASP  22 -15.361 -12.486 -10.101
  163    HA   ASP  22           HA       ASP  22 -17.900 -11.620 -11.312
  164   1HB   ASP  22          2HB       ASP  22 -17.116 -13.986  -9.615
  165   2HB   ASP  22          1HB       ASP  22 -18.806 -13.547  -9.866
  166    H    GLY  23           H        GLY  23 -16.378  -9.911  -9.487
  167   1HA   GLY  23          2HA       GLY  23 -17.249  -8.302  -7.983
  168   2HA   GLY  23          1HA       GLY  23 -18.509  -9.444  -7.526
  169    H    THR  24           H        THR  24 -15.146 -10.371  -7.732
  170    HA   THR  24           HA       THR  24 -13.625 -11.069  -6.166
  171    HB   THR  24           HB       THR  24 -15.034  -9.564  -4.003
  172    HG1  THR  24           HG1      THR  24 -14.022  -7.670  -4.821
  173   1HG2  THR  24          2HG2      THR  24 -12.205 -10.227  -4.788
  174   2HG2  THR  24          1HG2      THR  24 -12.542  -8.924  -3.650
  175   3HG2  THR  24          3HG2      THR  24 -13.040 -10.573  -3.274
  176    H    ASP  25           H        ASP  25 -13.472 -12.909  -5.097
  177    HA   ASP  25           HA       ASP  25 -15.868 -13.933  -3.690
  178   1HB   ASP  25          2HB       ASP  25 -15.249 -15.100  -5.887
  179   2HB   ASP  25          1HB       ASP  25 -13.812 -15.682  -5.045
  180    H    LEU  26           H        LEU  26 -13.713 -12.370  -2.595
  181    HA   LEU  26           HA       LEU  26 -12.608 -14.345  -0.696
  182   1HB   LEU  26          2HB       LEU  26 -10.838 -13.571  -2.260
  183   2HB   LEU  26          1HB       LEU  26 -11.170 -11.909  -1.795
  184    HG   LEU  26           HG       LEU  26  -9.172 -13.106  -0.669
  185   1HD1  LEU  26          2HD1      LEU  26 -10.616 -10.995   0.068
  186   2HD1  LEU  26          1HD1      LEU  26 -11.011 -12.050   1.425
  187   3HD1  LEU  26          3HD1      LEU  26  -9.329 -11.640   1.088
  188   1HD2  LEU  26          2HD2      LEU  26 -10.758 -15.137  -0.123
  189   2HD2  LEU  26          1HD2      LEU  26  -9.536 -14.644   1.050
  190   3HD2  LEU  26          3HD2      LEU  26 -11.218 -14.157   1.269
  191    H    SER  27           H        SER  27 -13.822 -13.977   1.062
  192    HA   SER  27           HA       SER  27 -14.121 -11.173   1.967
  193   1HB   SER  27          2HB       SER  27 -15.955 -13.546   2.231
  194   2HB   SER  27          1HB       SER  27 -16.071 -12.175   3.331
  195    HG   SER  27           HG       SER  27 -17.231 -11.349   1.781
  196    H    GLY  28           H        GLY  28 -12.050 -11.330   2.994
  197   1HA   GLY  28          2HA       GLY  28 -12.044 -11.729   5.705
  198   2HA   GLY  28          1HA       GLY  28 -11.553 -13.287   5.046
  199    H    ASP  29           H        ASP  29 -10.865  -9.906   4.151
  200    HA   ASP  29           HA       ASP  29  -8.890  -8.770   3.847
  201   1HB   ASP  29          2HB       ASP  29  -8.523  -9.819   6.228
  202   2HB   ASP  29          1HB       ASP  29  -7.376 -10.854   5.377
  203    H    PHE  30           H        PHE  30  -7.601  -8.708   2.123
  204    HA   PHE  30           HA       PHE  30  -6.680 -11.279   0.974
  205   1HB   PHE  30          2HB       PHE  30  -6.918 -10.210  -1.264
  206   2HB   PHE  30          1HB       PHE  30  -8.450 -10.409  -0.419
  207    HD1  PHE  30           HD2      PHE  30  -5.850  -7.948  -1.416
  208    HD2  PHE  30           HD1      PHE  30  -9.729  -8.515   0.348
  209    HE1  PHE  30           HE2      PHE  30  -6.284  -5.521  -1.601
  210    HE2  PHE  30           HE1      PHE  30 -10.163  -6.082   0.161
  211    HZ   PHE  30           HZ       PHE  30  -8.444  -4.587  -0.818
  212    H    LEU  31           H        LEU  31  -5.341  -9.286   2.768
  213    HA   LEU  31           HA       LEU  31  -3.067  -8.692   0.983
  214   1HB   LEU  31          2HB       LEU  31  -4.251  -6.966   3.151
  215   2HB   LEU  31          1HB       LEU  31  -2.629  -6.709   2.503
  216    HG   LEU  31           HG       LEU  31  -5.003  -6.971   0.668
  217   1HD1  LEU  31          3HD1      LEU  31  -4.963  -5.033   2.574
  218   2HD1  LEU  31          2HD1      LEU  31  -4.035  -4.247   1.297
  219   3HD1  LEU  31          1HD1      LEU  31  -5.671  -4.820   0.973
  220   1HD2  LEU  31          3HD2      LEU  31  -2.139  -6.279   0.474
  221   2HD2  LEU  31          2HD2      LEU  31  -3.228  -6.925  -0.752
  222   3HD2  LEU  31          1HD2      LEU  31  -3.208  -5.195  -0.418
  223    H    ASP  32           H        ASP  32  -2.586 -10.907   1.812
  224    HA   ASP  32           HA       ASP  32  -0.819 -10.663   4.154
  225   1HB   ASP  32          2HB       ASP  32  -2.943 -12.760   3.717
  226   2HB   ASP  32          1HB       ASP  32  -1.515 -13.091   4.699
  227    H    LEU  33           H        LEU  33  -1.908 -12.733   1.496
  228    HA   LEU  33           HA       LEU  33   0.828 -13.039   0.542
  229   1HB   LEU  33          2HB       LEU  33  -0.727 -15.226   1.828
  230   2HB   LEU  33          1HB       LEU  33   0.103 -15.632   0.326
  231    HG   LEU  33           HG       LEU  33   1.639 -14.077   2.356
  232   1HD1  LEU  33          3HD1      LEU  33   0.722 -16.926   2.673
  233   2HD1  LEU  33          2HD1      LEU  33   2.294 -16.426   3.297
  234   3HD1  LEU  33          1HD1      LEU  33   0.824 -15.653   3.890
  235   1HD2  LEU  33          2HD2      LEU  33   2.482 -14.802   0.073
  236   2HD2  LEU  33          1HD2      LEU  33   3.482 -15.323   1.429
  237   3HD2  LEU  33          3HD2      LEU  33   2.389 -16.466   0.649
  238    H    ARG  34           H        ARG  34  -1.247 -11.595  -0.513
  239    HA   ARG  34           HA       ARG  34  -3.009 -12.816  -2.270
  240   1HB   ARG  34          2HB       ARG  34  -2.928 -10.371  -1.737
  241   2HB   ARG  34          1HB       ARG  34  -1.541 -10.229  -2.817
  242   1HG   ARG  34          2HG       ARG  34  -2.807 -10.635  -4.721
  243   2HG   ARG  34          1HG       ARG  34  -4.023 -11.562  -3.840
  244   1HD   ARG  34          2HD       ARG  34  -4.987  -9.588  -2.907
  245   2HD   ARG  34          1HD       ARG  34  -3.625  -8.596  -3.418
  246    HE   ARG  34           HE       ARG  34  -4.416  -8.859  -5.718
  247   1HH1  ARG  34          1HH2      ARG  34  -6.292 -11.127  -4.272
  248   2HH1  ARG  34          2HH2      ARG  34  -7.831 -10.479  -4.735
  249   1HH2  ARG  34          2HH1      ARG  34  -6.525  -7.467  -5.849
  250   2HH2  ARG  34          1HH1      ARG  34  -7.962  -8.407  -5.629
  251    H    PHE  35           H        PHE  35   0.061 -11.313  -3.334
  252    HA   PHE  35           HA       PHE  35   0.194 -12.223  -5.902
  253   1HB   PHE  35          2HB       PHE  35   2.453 -11.987  -3.918
  254   2HB   PHE  35          1HB       PHE  35   2.699 -12.291  -5.630
  255    HD1  PHE  35           HD1      PHE  35   0.958 -10.532  -7.119
  256    HD2  PHE  35           HD2      PHE  35   2.885  -9.834  -3.326
  257    HE1  PHE  35           HE1      PHE  35   0.818  -8.103  -7.475
  258    HE2  PHE  35           HE2      PHE  35   2.742  -7.404  -3.709
  259    HZ   PHE  35           HZ       PHE  35   1.708  -6.530  -5.787
  260    H    GLU  36           H        GLU  36   1.981 -13.927  -3.326
  261    HA   GLU  36           HA       GLU  36   2.221 -16.312  -4.904
  262   1HB   GLU  36          2HB       GLU  36   3.738 -15.306  -2.942
  263   2HB   GLU  36          1HB       GLU  36   2.738 -16.394  -1.980
  264   1HG   GLU  36          2HG       GLU  36   3.463 -18.300  -3.146
  265   2HG   GLU  36          1HG       GLU  36   4.015 -17.355  -4.529
  266    H    ASP  37           H        ASP  37   0.008 -16.724  -5.277
  267    HA   ASP  37           HA       ASP  37  -1.116 -18.787  -3.820
  268   1HB   ASP  37          2HB       ASP  37  -1.497 -16.517  -2.329
  269   2HB   ASP  37          1HB       ASP  37  -2.973 -16.546  -3.287
  270    H    ILE  38           H        ILE  38  -1.705 -15.938  -5.804
  271    HA   ILE  38           HA       ILE  38  -3.886 -17.346  -7.176
  272    HB   ILE  38           HB       ILE  38  -4.796 -15.321  -7.790
  273   1HG1  ILE  38          2HG1      ILE  38  -2.827 -13.268  -7.427
  274   2HG1  ILE  38          1HG1      ILE  38  -2.084 -14.512  -8.411
  275   1HG2  ILE  38          3HG2      ILE  38  -4.103 -15.489  -5.200
  276   2HG2  ILE  38          2HG2      ILE  38  -3.264 -13.996  -5.628
  277   3HG2  ILE  38          1HG2      ILE  38  -5.010 -14.125  -5.859
  278   1HD1  ILE  38          3HD1      ILE  38  -4.643 -14.310  -9.484
  279   2HD1  ILE  38          2HD1      ILE  38  -4.236 -12.644  -9.077
  280   3HD1  ILE  38          1HD1      ILE  38  -3.193 -13.568 -10.151
  281    H    GLY  39           H        GLY  39  -3.741 -16.078  -9.660
  282   1HA   GLY  39          2HA       GLY  39  -1.245 -17.243 -10.755
  283   2HA   GLY  39          1HA       GLY  39  -2.798 -17.306 -11.585
  284    H    TYR  40           H        TYR  40  -0.990 -14.685  -9.958
  285    HA   TYR  40           HA       TYR  40  -1.581 -12.910 -12.177
  286   1HB   TYR  40          2HB       TYR  40  -1.126 -11.161 -10.675
  287   2HB   TYR  40          1HB       TYR  40  -1.763 -12.364  -9.595
  288    HD1  TYR  40           HD1      TYR  40  -0.137 -13.867  -8.344
  289    HD2  TYR  40           HD2      TYR  40   0.996 -10.289 -10.428
  290    HE1  TYR  40           HE1      TYR  40   2.048 -13.824  -7.139
  291    HE2  TYR  40           HE2      TYR  40   3.121 -10.225  -9.209
  292    HH   TYR  40           HH       TYR  40   4.623 -11.743  -8.051
  293    H    ASP  41           H        ASP  41   0.633 -11.259 -12.125
  294    HA   ASP  41           HA       ASP  41   2.859 -13.053 -12.885
  295   1HB   ASP  41          2HB       ASP  41   3.408 -10.897 -14.414
  296   2HB   ASP  41          1HB       ASP  41   2.491 -12.281 -14.994
  297    H    SER  42           H        SER  42   4.717 -12.683 -11.900
  298    HA   SER  42           HA       SER  42   4.903 -10.590  -9.914
  299   1HB   SER  42          2HB       SER  42   5.806 -12.930  -9.621
  300   2HB   SER  42          1HB       SER  42   7.071 -12.510 -10.773
  301    HG   SER  42           HG       SER  42   6.877 -11.919  -8.159
  302    H    LEU  43           H        LEU  43   6.725 -11.432 -12.858
  303    HA   LEU  43           HA       LEU  43   8.387  -9.102 -12.700
  304   1HB   LEU  43          2HB       LEU  43   7.909 -11.190 -14.808
  305   2HB   LEU  43          1HB       LEU  43   8.895  -9.767 -15.144
  306    HG   LEU  43           HG       LEU  43  10.270 -10.317 -13.116
  307   1HD1  LEU  43          1HD1      LEU  43   8.378 -12.661 -13.112
  308   2HD1  LEU  43          3HD1      LEU  43  10.001 -12.821 -12.440
  309   3HD1  LEU  43          2HD1      LEU  43   8.879 -11.642 -11.761
  310   1HD2  LEU  43          2HD2      LEU  43  10.064 -12.465 -15.252
  311   2HD2  LEU  43          1HD2      LEU  43  11.023 -10.990 -15.355
  312   3HD2  LEU  43          3HD2      LEU  43  11.445 -12.234 -14.179
  313    H    ALA  44           H        ALA  44   5.200  -9.676 -13.914
  314    HA   ALA  44           HA       ALA  44   5.316  -7.397 -15.730
  315   1HB   ALA  44          1HB       ALA  44   3.895  -9.689 -15.887
  316   2HB   ALA  44          3HB       ALA  44   2.698  -8.627 -15.146
  317   3HB   ALA  44          2HB       ALA  44   3.427  -8.192 -16.689
  318    H    LEU  45           H        LEU  45   4.253  -8.095 -12.464
  319    HA   LEU  45           HA       LEU  45   2.505  -5.825 -12.320
  320   1HB   LEU  45          2HB       LEU  45   1.930  -6.539 -10.253
  321   2HB   LEU  45          1HB       LEU  45   2.722  -8.016 -10.757
  322    HG   LEU  45           HG       LEU  45   4.607  -6.114  -9.496
  323   1HD1  LEU  45          2HD1      LEU  45   2.039  -6.798  -8.186
  324   2HD1  LEU  45          1HD1      LEU  45   3.500  -6.940  -7.207
  325   3HD1  LEU  45          3HD1      LEU  45   3.081  -5.396  -7.950
  326   1HD2  LEU  45          3HD2      LEU  45   4.495  -8.777  -9.970
  327   2HD2  LEU  45          2HD2      LEU  45   5.527  -8.054  -8.738
  328   3HD2  LEU  45          1HD2      LEU  45   3.957  -8.737  -8.289
  329    H    MET  46           H        MET  46   5.868  -6.460 -11.601
  330    HA   MET  46           HA       MET  46   6.419  -3.889 -10.450
  331   1HB   MET  46          2HB       MET  46   7.827  -5.931 -10.076
  332   2HB   MET  46          1HB       MET  46   8.364  -5.807 -11.752
  333   1HG   MET  46          2HG       MET  46   8.810  -3.257 -10.903
  334   2HG   MET  46          1HG       MET  46   9.088  -4.143  -9.405
  335   1HE   MET  46          1HE       MET  46  11.139  -2.846  -9.670
  336   2HE   MET  46          3HE       MET  46  12.628  -3.523 -10.344
  337   3HE   MET  46          2HE       MET  46  11.582  -2.516 -11.343
  338    H    GLU  47           H        GLU  47   6.425  -5.244 -13.683
  339    HA   GLU  47           HA       GLU  47   7.829  -3.059 -14.914
  340   1HB   GLU  47          2HB       GLU  47   6.282  -5.425 -15.912
  341   2HB   GLU  47          1HB       GLU  47   6.675  -4.113 -17.023
  342   1HG   GLU  47          2HG       GLU  47   9.053  -4.337 -16.501
  343   2HG   GLU  47          1HG       GLU  47   8.696  -5.588 -15.310
  344    H    THR  48           H        THR  48   4.507  -3.758 -14.107
  345    HA   THR  48           HA       THR  48   3.332  -1.806 -15.849
  346    HB   THR  48           HB       THR  48   2.175  -3.019 -13.325
  347    HG1  THR  48           HG1      THR  48   2.085  -3.857 -16.032
  348   1HG2  THR  48          2HG2      THR  48   1.075  -0.961 -14.341
  349   2HG2  THR  48          1HG2      THR  48   0.761  -1.942 -15.773
  350   3HG2  THR  48          3HG2      THR  48   0.047  -2.390 -14.224
  351    H    ALA  49           H        ALA  49   4.246  -1.902 -12.427
  352    HA   ALA  49           HA       ALA  49   3.301   0.703 -11.786
  353   1HB   ALA  49          3HB       ALA  49   5.240  -1.201 -10.503
  354   2HB   ALA  49          2HB       ALA  49   5.068   0.444  -9.889
  355   3HB   ALA  49          1HB       ALA  49   3.678  -0.640  -9.909
  356    H    ALA  50           H        ALA  50   6.371  -0.562 -12.960
  357    HA   ALA  50           HA       ALA  50   7.908   1.792 -12.662
  358   1HB   ALA  50          1HB       ALA  50   8.149  -0.614 -14.460
  359   2HB   ALA  50          3HB       ALA  50   9.286   0.730 -14.558
  360   3HB   ALA  50          2HB       ALA  50   9.133  -0.186 -13.060
  361    H    ARG  51           H        ARG  51   5.897   0.568 -15.305
  362    HA   ARG  51           HA       ARG  51   6.564   2.521 -17.228
  363   1HB   ARG  51          2HB       ARG  51   4.281   0.640 -16.826
  364   2HB   ARG  51          1HB       ARG  51   4.080   1.956 -17.984
  365   1HG   ARG  51          2HG       ARG  51   6.635   0.427 -18.113
  366   2HG   ARG  51          1HG       ARG  51   5.180  -0.397 -18.675
  367   1HD   ARG  51          2HD       ARG  51   5.999   0.697 -20.602
  368   2HD   ARG  51          1HD       ARG  51   4.705   1.741 -20.027
  369    HE   ARG  51           HE       ARG  51   7.399   2.388 -19.091
  370   1HH1  ARG  51          2HH1      ARG  51   5.739   4.638 -18.899
  371   2HH1  ARG  51          1HH1      ARG  51   5.873   5.476 -20.408
  372   1HH2  ARG  51          1HH2      ARG  51   7.178   2.751 -22.109
  373   2HH2  ARG  51          2HH2      ARG  51   6.687   4.408 -22.226
  374    H    LEU  52           H        LEU  52   3.802   2.365 -14.979
  375    HA   LEU  52           HA       LEU  52   3.111   5.134 -15.584
  376   1HB   LEU  52          2HB       LEU  52   1.820   3.072 -13.787
  377   2HB   LEU  52          1HB       LEU  52   1.210   4.711 -14.014
  378    HG   LEU  52           HG       LEU  52   1.365   4.092 -16.574
  379   1HD1  LEU  52          2HD1      LEU  52   1.336   1.423 -15.154
  380   2HD1  LEU  52          1HD1      LEU  52   0.711   1.617 -16.792
  381   3HD1  LEU  52          3HD1      LEU  52   2.408   1.956 -16.450
  382   1HD2  LEU  52          1HD2      LEU  52  -0.697   4.577 -15.185
  383   2HD2  LEU  52          3HD2      LEU  52  -0.959   3.444 -16.510
  384   3HD2  LEU  52          2HD2      LEU  52  -0.802   2.848 -14.857
  385    H    GLU  53           H        GLU  53   5.514   3.995 -13.805
  386    HA   GLU  53           HA       GLU  53   5.159   4.925 -11.186
  387   1HB   GLU  53          2HB       GLU  53   7.104   3.556 -12.141
  388   2HB   GLU  53          1HB       GLU  53   7.772   5.096 -12.682
  389   1HG   GLU  53          2HG       GLU  53   7.849   5.938 -10.420
  390   2HG   GLU  53          1HG       GLU  53   6.965   4.536  -9.817
  391    H    SER  54           H        SER  54   5.967   6.603 -14.155
  392    HA   SER  54           HA       SER  54   6.665   9.085 -12.858
  393   1HB   SER  54          2HB       SER  54   6.707  10.010 -15.124
  394   2HB   SER  54          1HB       SER  54   7.582   8.482 -15.074
  395    HG   SER  54           HG       SER  54   6.152   8.563 -16.843
  396    H    ARG  55           H        ARG  55   3.793   7.631 -14.244
  397    HA   ARG  55           HA       ARG  55   2.174   9.928 -14.463
  398   1HB   ARG  55          2HB       ARG  55   1.657   7.619 -15.367
  399   2HB   ARG  55          1HB       ARG  55   1.203   7.163 -13.726
  400   1HG   ARG  55          2HG       ARG  55  -0.594   8.708 -13.672
  401   2HG   ARG  55          1HG       ARG  55   0.014   9.587 -15.076
  402   1HD   ARG  55          2HD       ARG  55  -0.581   7.833 -16.564
  403   2HD   ARG  55          1HD       ARG  55  -0.811   6.689 -15.247
  404    HE   ARG  55           HE       ARG  55  -2.740   8.321 -14.621
  405   1HH1  ARG  55          2HH1      ARG  55  -1.857   9.307 -17.594
  406   2HH1  ARG  55          1HH1      ARG  55  -3.280   8.807 -18.446
  407   1HH2  ARG  55          1HH2      ARG  55  -4.504   6.904 -15.817
  408   2HH2  ARG  55          2HH2      ARG  55  -4.780   7.446 -17.438
  409    H    TYR  56           H        TYR  56   2.803   7.729 -11.772
  410    HA   TYR  56           HA       TYR  56   0.922   8.998  -9.999
  411   1HB   TYR  56          2HB       TYR  56   3.060   6.909  -9.673
  412   2HB   TYR  56          1HB       TYR  56   2.299   7.637  -8.259
  413    HD1  TYR  56           HD1      TYR  56   1.103   6.479 -11.632
  414    HD2  TYR  56           HD2      TYR  56   0.595   6.327  -7.369
  415    HE1  TYR  56           HE1      TYR  56  -0.861   4.994 -11.918
  416    HE2  TYR  56           HE2      TYR  56  -1.369   4.844  -7.656
  417    HH   TYR  56           HH       TYR  56  -2.092   3.296 -10.572
  418    H    GLY  57           H        GLY  57   4.314   9.354 -10.777
  419   1HA   GLY  57          2HA       GLY  57   5.722  11.148 -10.313
  420   2HA   GLY  57          1HA       GLY  57   4.436  11.866  -9.348
  421    H    VAL  58           H        VAL  58   5.471   8.574  -8.824
  422    HA   VAL  58           HA       VAL  58   6.411   9.324  -6.154
  423    HB   VAL  58           HB       VAL  58   4.654   7.584  -6.375
  424   1HG1  VAL  58          3HG1      VAL  58   5.419   6.621  -8.535
  425   2HG1  VAL  58          2HG1      VAL  58   6.835   5.961  -7.717
  426   3HG1  VAL  58          1HG1      VAL  58   5.223   5.386  -7.292
  427   1HG2  VAL  58          3HG2      VAL  58   6.521   7.646  -4.581
  428   2HG2  VAL  58          2HG2      VAL  58   5.547   6.186  -4.733
  429   3HG2  VAL  58          1HG2      VAL  58   7.165   6.242  -5.431
  430    H    SER  59           H        SER  59   8.323   8.110  -5.305
  431    HA   SER  59           HA       SER  59  10.605   8.564  -6.861
  432   1HB   SER  59          2HB       SER  59  10.307   8.133  -4.274
  433   2HB   SER  59          1HB       SER  59  10.653   6.467  -4.728
  434    HG   SER  59           HG       SER  59  12.471   8.018  -4.214
  435    H    ILE  60           H        ILE  60  12.270   6.505  -6.912
  436    HA   ILE  60           HA       ILE  60  10.918   4.535  -8.661
  437    HB   ILE  60           HB       ILE  60  13.823   5.378  -8.761
  438   1HG1  ILE  60          2HG1      ILE  60  11.739   6.123 -10.802
  439   2HG1  ILE  60          1HG1      ILE  60  11.959   7.125  -9.367
  440   1HG2  ILE  60          3HG2      ILE  60  12.986   3.075  -9.634
  441   2HG2  ILE  60          2HG2      ILE  60  12.213   4.012 -10.913
  442   3HG2  ILE  60          1HG2      ILE  60  13.965   4.068 -10.715
  443   1HD1  ILE  60          3HD1      ILE  60  14.483   7.059  -9.971
  444   2HD1  ILE  60          2HD1      ILE  60  13.935   6.529 -11.562
  445   3HD1  ILE  60          1HD1      ILE  60  13.427   8.096 -10.931
  446    HA   PRO  61           HA       PRO  61  12.707   2.027  -5.240
  447   1HB   PRO  61          2HB       PRO  61  10.483   0.501  -4.795
  448   2HB   PRO  61          1HB       PRO  61  10.761   2.072  -4.027
  449   1HG   PRO  61          2HG       PRO  61   8.877   1.348  -6.188
  450   2HG   PRO  61          1HG       PRO  61   8.803   2.680  -5.026
  451   1HD   PRO  61          2HD       PRO  61   9.616   2.838  -7.754
  452   2HD   PRO  61          1HD       PRO  61   9.724   4.126  -6.531
  453    H    ASP  62           H        ASP  62  14.116   0.785  -6.444
  454    HA   ASP  62           HA       ASP  62  13.017  -1.191  -8.323
  455   1HB   ASP  62          2HB       ASP  62  15.718   0.047  -7.931
  456   2HB   ASP  62          1HB       ASP  62  15.580  -1.507  -8.756
  457    H    ASP  63           H        ASP  63  14.586  -0.952  -5.221
  458    HA   ASP  63           HA       ASP  63  15.412  -3.719  -5.146
  459   1HB   ASP  63          2HB       ASP  63  16.278  -1.582  -3.786
  460   2HB   ASP  63          1HB       ASP  63  15.087  -2.171  -2.626
  461    H    VAL  64           H        VAL  64  13.161  -1.914  -3.047
  462    HA   VAL  64           HA       VAL  64  11.882  -4.186  -2.005
  463    HB   VAL  64           HB       VAL  64  11.764  -1.954  -0.964
  464   1HG1  VAL  64          3HG1      VAL  64  11.419  -0.817  -3.263
  465   2HG1  VAL  64          2HG1      VAL  64   9.711  -1.190  -3.032
  466   3HG1  VAL  64          1HG1      VAL  64  10.553  -0.155  -1.877
  467   1HG2  VAL  64          1HG2      VAL  64   9.853  -3.865  -0.930
  468   2HG2  VAL  64          3HG2      VAL  64   9.722  -2.370  -0.003
  469   3HG2  VAL  64          2HG2      VAL  64   8.905  -2.517  -1.558
  470    H    ALA  65           H        ALA  65  11.008  -2.097  -4.736
  471    HA   ALA  65           HA       ALA  65   8.597  -3.532  -5.343
  472   1HB   ALA  65          3HB       ALA  65   9.445  -1.085  -6.027
  473   2HB   ALA  65          2HB       ALA  65   9.972  -1.962  -7.463
  474   3HB   ALA  65          1HB       ALA  65   8.272  -1.978  -6.994
  475    H    GLY  66           H        GLY  66  11.951  -3.706  -6.361
  476   1HA   GLY  66          2HA       GLY  66  11.666  -5.296  -8.662
  477   2HA   GLY  66          1HA       GLY  66  13.095  -5.251  -7.636
  478    H    ARG  67           H        ARG  67  11.657  -6.113  -5.249
  479    HA   ARG  67           HA       ARG  67  10.897  -8.868  -5.975
  480   1HB   ARG  67          2HB       ARG  67  13.119  -7.998  -4.170
  481   2HB   ARG  67          1HB       ARG  67  12.217  -9.457  -3.763
  482   1HG   ARG  67          2HG       ARG  67  13.139 -10.643  -5.463
  483   2HG   ARG  67          1HG       ARG  67  12.961  -9.312  -6.606
  484   1HD   ARG  67          2HD       ARG  67  15.292  -9.534  -6.403
  485   2HD   ARG  67          1HD       ARG  67  14.914  -8.213  -5.305
  486    HE   ARG  67           HE       ARG  67  15.390 -11.003  -4.418
  487   1HH1  ARG  67          2HH1      ARG  67  14.231  -9.503  -2.240
  488   2HH1  ARG  67          1HH1      ARG  67  15.576  -8.724  -1.475
  489   1HH2  ARG  67          1HH2      ARG  67  17.702  -9.152  -4.182
  490   2HH2  ARG  67          2HH2      ARG  67  17.540  -8.525  -2.575
  491    H    VAL  68           H        VAL  68   8.789  -7.731  -5.575
  492    HA   VAL  68           HA       VAL  68   8.182  -7.223  -2.763
  493    HB   VAL  68           HB       VAL  68   7.282  -5.721  -4.532
  494   1HG1  VAL  68          2HG1      VAL  68   6.800  -7.985  -5.967
  495   2HG1  VAL  68          1HG1      VAL  68   5.193  -7.674  -5.307
  496   3HG1  VAL  68          3HG1      VAL  68   6.002  -6.442  -6.276
  497   1HG2  VAL  68          2HG2      VAL  68   5.551  -7.237  -2.624
  498   2HG2  VAL  68          1HG2      VAL  68   5.984  -5.528  -2.633
  499   3HG2  VAL  68          3HG2      VAL  68   4.765  -6.135  -3.753
  500    H    ASP  69           H        ASP  69   7.489  -8.762  -1.449
  501    HA   ASP  69           HA       ASP  69   6.444 -11.260  -2.609
  502   1HB   ASP  69          2HB       ASP  69   7.474 -10.654   0.173
  503   2HB   ASP  69          1HB       ASP  69   6.876 -12.223  -0.364
  504    H    THR  70           H        THR  70   5.599  -8.573  -0.535
  505    HA   THR  70           HA       THR  70   2.990  -9.828   0.046
  506    HB   THR  70           HB       THR  70   2.955  -7.596   1.561
  507    HG1  THR  70           HG1      THR  70   5.003  -7.177   2.296
  508   1HG2  THR  70          2HG2      THR  70   4.185 -10.299   2.106
  509   2HG2  THR  70          1HG2      THR  70   3.984  -9.091   3.377
  510   3HG2  THR  70          3HG2      THR  70   2.571  -9.728   2.533
  511    HA   PRO  71           HA       PRO  71   1.054  -6.920  -2.684
  512   1HB   PRO  71          2HB       PRO  71  -1.493  -7.015  -1.717
  513   2HB   PRO  71          1HB       PRO  71  -0.755  -8.323  -2.654
  514   1HG   PRO  71          2HG       PRO  71  -1.324  -8.178   0.248
  515   2HG   PRO  71          1HG       PRO  71  -1.213  -9.592  -0.806
  516   1HD   PRO  71          2HD       PRO  71   0.776  -8.672   0.988
  517   2HD   PRO  71          1HD       PRO  71   0.984  -9.911  -0.273
  518    H    ARG  72           H        ARG  72   0.242  -6.531   0.753
  519    HA   ARG  72           HA       ARG  72  -0.602  -3.819   0.553
  520   1HB   ARG  72          2HB       ARG  72  -1.038  -5.525   2.454
  521   2HB   ARG  72          1HB       ARG  72   0.536  -5.018   3.063
  522   1HG   ARG  72          2HG       ARG  72  -0.207  -2.934   3.645
  523   2HG   ARG  72          1HG       ARG  72  -1.313  -2.833   2.275
  524   1HD   ARG  72          2HD       ARG  72  -2.641  -4.697   3.532
  525   2HD   ARG  72          1HD       ARG  72  -1.726  -4.165   4.939
  526    HE   ARG  72           HE       ARG  72  -2.711  -1.832   4.027
  527   1HH1  ARG  72          1HH2      ARG  72  -4.976  -2.715   2.594
  528   2HH1  ARG  72          2HH2      ARG  72  -6.188  -3.065   3.783
  529   1HH2  ARG  72          2HH1      ARG  72  -3.933  -3.247   6.413
  530   2HH2  ARG  72          1HH1      ARG  72  -5.597  -3.363   5.945
  531    H    GLU  73           H        GLU  73   2.501  -5.224   0.375
  532    HA   GLU  73           HA       GLU  73   3.992  -3.146   1.653
  533   1HB   GLU  73          2HB       GLU  73   4.833  -5.487   1.213
  534   2HB   GLU  73          1HB       GLU  73   4.975  -5.040  -0.487
  535   1HG   GLU  73          2HG       GLU  73   7.111  -4.527   0.275
  536   2HG   GLU  73          1HG       GLU  73   6.303  -2.973   0.487
  537    H    LEU  74           H        LEU  74   3.223  -3.913  -1.743
  538    HA   LEU  74           HA       LEU  74   4.605  -1.669  -2.801
  539   1HB   LEU  74          2HB       LEU  74   3.410  -2.126  -4.905
  540   2HB   LEU  74          1HB       LEU  74   4.128  -3.582  -4.231
  541    HG   LEU  74           HG       LEU  74   1.361  -3.110  -3.333
  542   1HD1  LEU  74          2HD1      LEU  74   1.989  -3.605  -6.255
  543   2HD1  LEU  74          1HD1      LEU  74   0.407  -3.875  -5.525
  544   3HD1  LEU  74          3HD1      LEU  74   1.084  -2.247  -5.589
  545   1HD2  LEU  74          3HD2      LEU  74   2.949  -5.392  -4.522
  546   2HD2  LEU  74          2HD2      LEU  74   2.390  -5.224  -2.861
  547   3HD2  LEU  74          1HD2      LEU  74   1.233  -5.529  -4.151
  548    H    LEU  75           H        LEU  75   1.312  -2.152  -1.661
  549    HA   LEU  75           HA       LEU  75   0.189   0.239  -2.694
  550   1HB   LEU  75          2HB       LEU  75  -1.221  -1.550  -1.760
  551   2HB   LEU  75          1HB       LEU  75  -0.523  -1.283  -0.165
  552    HG   LEU  75           HG       LEU  75  -1.358   1.165  -0.433
  553   1HD1  LEU  75          3HD1      LEU  75  -1.990   0.344  -2.960
  554   2HD1  LEU  75          2HD1      LEU  75  -3.537   0.137  -2.139
  555   3HD1  LEU  75          1HD1      LEU  75  -2.745   1.712  -2.144
  556   1HD2  LEU  75          1HD2      LEU  75  -2.327  -0.509   1.117
  557   2HD2  LEU  75          3HD2      LEU  75  -3.565   0.549   0.440
  558   3HD2  LEU  75          2HD2      LEU  75  -3.368  -1.089  -0.182
  559    H    ASP  76           H        ASP  76   1.423  -0.485   0.573
  560    HA   ASP  76           HA       ASP  76   1.325   2.184   1.496
  561   1HB   ASP  76          2HB       ASP  76   1.481   0.106   2.927
  562   2HB   ASP  76          1HB       ASP  76   3.193   0.041   2.509
  563    H    LEU  77           H        LEU  77   3.583   0.574  -0.566
  564    HA   LEU  77           HA       LEU  77   5.900   2.105   0.042
  565   1HB   LEU  77          2HB       LEU  77   5.612  -0.070  -1.418
  566   2HB   LEU  77          1HB       LEU  77   5.392   1.090  -2.727
  567    HG   LEU  77           HG       LEU  77   7.545   2.210  -1.724
  568   1HD1  LEU  77          2HD1      LEU  77   7.774  -0.651  -0.738
  569   2HD1  LEU  77          1HD1      LEU  77   9.072   0.541  -0.718
  570   3HD1  LEU  77          3HD1      LEU  77   7.640   0.783   0.280
  571   1HD2  LEU  77          3HD2      LEU  77   7.570  -0.402  -3.269
  572   2HD2  LEU  77          2HD2      LEU  77   7.456   1.219  -3.953
  573   3HD2  LEU  77          1HD2      LEU  77   8.941   0.702  -3.155
  574    H    ILE  78           H        ILE  78   3.612   2.357  -2.692
  575    HA   ILE  78           HA       ILE  78   4.632   4.846  -3.624
  576    HB   ILE  78           HB       ILE  78   1.873   3.665  -4.043
  577   1HG1  ILE  78          2HG1      ILE  78   4.171   3.447  -5.971
  578   2HG1  ILE  78          1HG1      ILE  78   4.037   2.296  -4.640
  579   1HG2  ILE  78          2HG2      ILE  78   3.393   5.955  -5.209
  580   2HG2  ILE  78          1HG2      ILE  78   2.400   4.990  -6.304
  581   3HG2  ILE  78          3HG2      ILE  78   1.662   5.789  -4.916
  582   1HD1  ILE  78          3HD1      ILE  78   1.547   2.079  -5.443
  583   2HD1  ILE  78          2HD1      ILE  78   2.173   2.736  -6.956
  584   3HD1  ILE  78          1HD1      ILE  78   2.816   1.222  -6.318
  585    H    ASN  79           H        ASN  79   2.046   3.941  -1.456
  586    HA   ASN  79           HA       ASN  79   0.770   6.415  -1.129
  587   1HB   ASN  79          2HB       ASN  79   0.368   3.883  -0.184
  588   2HB   ASN  79          1HB       ASN  79   0.924   4.700   1.272
  589   1HD2  ASN  79          2HD2      ASN  79  -2.823   5.100   0.758
  590   2HD2  ASN  79          1HD2      ASN  79  -1.822   3.733   0.672
  591    H    GLY  80           H        GLY  80   3.671   5.078   0.312
  592   1HA   GLY  80          2HA       GLY  80   3.885   7.052   2.396
  593   2HA   GLY  80          1HA       GLY  80   5.122   5.892   1.928
  594    H    ALA  81           H        ALA  81   5.860   6.406  -0.509
  595    HA   ALA  81           HA       ALA  81   7.429   8.716  -0.383
  596   1HB   ALA  81          1HB       ALA  81   6.597   6.945  -2.667
  597   2HB   ALA  81          3HB       ALA  81   7.596   8.372  -2.939
  598   3HB   ALA  81          2HB       ALA  81   8.174   7.080  -1.888
  599    H    LEU  82           H        LEU  82   4.116   8.349  -1.346
  600    HA   LEU  82           HA       LEU  82   4.054  10.894  -2.772
  601   1HB   LEU  82          2HB       LEU  82   2.000   8.772  -2.175
  602   2HB   LEU  82          1HB       LEU  82   1.532  10.352  -2.805
  603    HG   LEU  82           HG       LEU  82   3.584   8.543  -4.110
  604   1HD1  LEU  82          3HD1      LEU  82   1.277   7.588  -4.140
  605   2HD1  LEU  82          2HD1      LEU  82   0.704   9.072  -4.902
  606   3HD1  LEU  82          1HD1      LEU  82   1.848   8.031  -5.749
  607   1HD2  LEU  82          3HD2      LEU  82   2.324  11.198  -4.784
  608   2HD2  LEU  82          2HD2      LEU  82   4.030  10.752  -4.801
  609   3HD2  LEU  82          1HD2      LEU  82   2.949  10.153  -6.059
  610    H    ALA  83           H        ALA  83   3.130   9.520   0.321
  611    HA   ALA  83           HA       ALA  83   1.497  11.616   1.261
  612   1HB   ALA  83          1HB       ALA  83   3.286   9.727   2.808
  613   2HB   ALA  83          3HB       ALA  83   2.047  10.758   3.523
  614   3HB   ALA  83          2HB       ALA  83   1.587   9.469   2.413
  615    H    GLU  84           H        GLU  84   4.974  11.224   1.120
  616    HA   GLU  84           HA       GLU  84   5.733  13.247   2.925
  617   1HB   GLU  84          2HB       GLU  84   7.196  11.478   1.716
  618   2HB   GLU  84          1HB       GLU  84   7.278  12.665   0.412
  619   1HG   GLU  84          2HG       GLU  84   7.827  14.281   2.498
  620   2HG   GLU  84          1HG       GLU  84   8.455  12.765   3.144
  621    H    ALA  85           H        ALA  85   4.914  13.343  -0.510
  622    HA   ALA  85           HA       ALA  85   5.608  16.077  -0.918
  623   1HB   ALA  85          1HB       ALA  85   3.785  14.192  -2.417
  624   2HB   ALA  85          3HB       ALA  85   4.080  15.852  -2.933
  625   3HB   ALA  85          2HB       ALA  85   5.415  14.702  -2.859
  626    H    ALA  86           HN       ALA  86   2.351  14.621  -0.916
  627    HA   ALA  86           HA       ALA  86   1.151  17.171  -0.241
  628   1HB   ALA  86          1HB       ALA  86   0.089  14.419  -0.821
  629   2HB   ALA  86          3HB       ALA  86  -0.958  15.653  -0.118
  630   3HB   ALA  86          2HB       ALA  86  -0.202  15.926  -1.689
   
  No H/Q in entry =         630
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -5.636  17.148  -3.010
    2   2H    MET   1          3H        MET   1  -7.290  17.304  -3.347
    3   3H    MET   1          2H        MET   1  -6.304  18.686  -3.285
    4    HA   MET   1           HA       MET   1  -6.113  18.639  -0.996
    5   1HB   MET   1          2HB       MET   1  -8.530  18.929  -2.039
    6   2HB   MET   1          1HB       MET   1  -8.843  17.414  -1.192
    7   1HG   MET   1          2HG       MET   1  -8.330  18.362   0.922
    8   2HG   MET   1          1HG       MET   1  -7.551  19.766   0.193
    9   1HE   MET   1          3HE       MET   1  -9.836  18.842   2.243
   10   2HE   MET   1          2HE       MET   1 -11.299  19.812   2.088
   11   3HE   MET   1          1HE       MET   1 -11.192  18.255   1.269
   12    H    ALA   2           H        ALA   2  -7.914  15.672  -1.847
   13    HA   ALA   2           HA       ALA   2  -6.285  14.218   0.153
   14   1HB   ALA   2          2HB       ALA   2  -9.223  13.841  -0.479
   15   2HB   ALA   2          1HB       ALA   2  -8.275  12.799   0.584
   16   3HB   ALA   2          3HB       ALA   2  -8.550  14.487   1.018
   17    H    THR   3           H        THR   3  -4.861  13.574  -1.529
   18    HA   THR   3           HA       THR   3  -5.994  11.471  -3.276
   19    HB   THR   3           HB       THR   3  -3.597  13.109  -4.070
   20    HG1  THR   3           HG1      THR   3  -6.294  13.633  -4.762
   21   1HG2  THR   3          3HG2      THR   3  -5.681  11.521  -5.594
   22   2HG2  THR   3          2HG2      THR   3  -4.332  12.391  -6.323
   23   3HG2  THR   3          1HG2      THR   3  -4.025  11.012  -5.268
   24    H    LEU   4           H        LEU   4  -5.283   9.576  -2.568
   25    HA   LEU   4           HA       LEU   4  -2.425   9.189  -2.118
   26   1HB   LEU   4          2HB       LEU   4  -2.854   7.998   0.048
   27   2HB   LEU   4          1HB       LEU   4  -3.112   9.741   0.121
   28    HG   LEU   4           HG       LEU   4  -5.603   8.787  -0.655
   29   1HD1  LEU   4          2HD1      LEU   4  -4.723   6.469  -0.149
   30   2HD1  LEU   4          1HD1      LEU   4  -4.559   6.971   1.534
   31   3HD1  LEU   4          3HD1      LEU   4  -6.151   6.930   0.777
   32   1HD2  LEU   4          1HD2      LEU   4  -4.772  10.472   1.177
   33   2HD2  LEU   4          3HD2      LEU   4  -6.319   9.656   1.402
   34   3HD2  LEU   4          2HD2      LEU   4  -4.886   9.081   2.254
   35    H    LEU   5           H        LEU   5  -2.116   6.744  -1.462
   36    HA   LEU   5           HA       LEU   5  -3.593   5.210  -3.482
   37   1HB   LEU   5          2HB       LEU   5  -0.908   5.071  -2.279
   38   2HB   LEU   5          1HB       LEU   5  -1.683   3.502  -2.488
   39    HG   LEU   5           HG       LEU   5  -0.360   4.142  -4.483
   40   1HD1  LEU   5          1HD1      LEU   5  -2.619   2.853  -4.536
   41   2HD1  LEU   5          3HD1      LEU   5  -3.264   4.333  -5.244
   42   3HD1  LEU   5          2HD1      LEU   5  -1.964   3.465  -6.056
   43   1HD2  LEU   5          3HD2      LEU   5  -1.295   6.692  -3.995
   44   2HD2  LEU   5          2HD2      LEU   5  -0.520   6.172  -5.490
   45   3HD2  LEU   5          1HD2      LEU   5  -2.279   6.198  -5.374
   46    H    THR   6           H        THR   6  -5.082   3.751  -2.984
   47    HA   THR   6           HA       THR   6  -5.277   2.851  -0.169
   48    HB   THR   6           HB       THR   6  -7.725   2.670  -0.544
   49    HG1  THR   6           HG1      THR   6  -8.352   2.752  -2.528
   50   1HG2  THR   6          2HG2      THR   6  -6.347   4.841   0.179
   51   2HG2  THR   6          1HG2      THR   6  -7.055   5.473  -1.307
   52   3HG2  THR   6          3HG2      THR   6  -8.099   4.880  -0.016
   53    H    THR   7           H        THR   7  -6.643   0.789  -0.029
   54    HA   THR   7           HA       THR   7  -5.313  -1.308  -1.326
   55    HB   THR   7           HB       THR   7  -8.095  -1.390  -0.132
   56    HG1  THR   7           HG1      THR   7  -5.589  -1.897   1.088
   57   1HG2  THR   7          1HG2      THR   7  -7.390  -3.369  -1.493
   58   2HG2  THR   7          3HG2      THR   7  -5.999  -3.558  -0.426
   59   3HG2  THR   7          2HG2      THR   7  -7.632  -3.749   0.212
   60    H    ASP   8           H        ASP   8  -8.401   0.261  -2.048
   61    HA   ASP   8           HA       ASP   8  -9.195  -1.444  -4.154
   62   1HB   ASP   8          2HB       ASP   8  -9.882   1.386  -3.406
   63   2HB   ASP   8          1HB       ASP   8 -10.493   0.677  -4.901
   64    H    ASP   9           H        ASP   9  -6.983   1.268  -4.023
   65    HA   ASP   9           HA       ASP   9  -6.848   1.757  -6.826
   66   1HB   ASP   9          2HB       ASP   9  -5.898   3.130  -4.723
   67   2HB   ASP   9          1HB       ASP   9  -4.433   2.250  -5.157
   68    H    LEU  10           H        LEU  10  -4.848  -0.183  -4.608
   69    HA   LEU  10           HA       LEU  10  -3.026  -1.059  -6.591
   70   1HB   LEU  10          2HB       LEU  10  -2.038  -2.325  -4.934
   71   2HB   LEU  10          1HB       LEU  10  -2.915  -1.168  -3.943
   72    HG   LEU  10           HG       LEU  10  -4.833  -3.044  -4.159
   73   1HD1  LEU  10          3HD1      LEU  10  -2.878  -4.301  -5.527
   74   2HD1  LEU  10          2HD1      LEU  10  -2.491  -4.861  -3.901
   75   3HD1  LEU  10          1HD1      LEU  10  -4.088  -5.170  -4.585
   76   1HD2  LEU  10          3HD2      LEU  10  -3.650  -2.116  -2.089
   77   2HD2  LEU  10          2HD2      LEU  10  -4.215  -3.784  -1.972
   78   3HD2  LEU  10          1HD2      LEU  10  -2.508  -3.448  -2.266
   79    H    ARG  11           H        ARG  11  -6.177  -2.172  -5.606
   80    HA   ARG  11           HA       ARG  11  -6.124  -4.756  -6.752
   81   1HB   ARG  11          2HB       ARG  11  -7.897  -3.509  -5.198
   82   2HB   ARG  11          1HB       ARG  11  -8.663  -3.196  -6.755
   83   1HG   ARG  11          2HG       ARG  11  -7.697  -5.971  -6.293
   84   2HG   ARG  11          1HG       ARG  11  -9.097  -5.460  -5.349
   85   1HD   ARG  11          2HD       ARG  11  -8.863  -5.225  -8.361
   86   2HD   ARG  11          1HD       ARG  11  -9.742  -6.495  -7.519
   87    HE   ARG  11           HE       ARG  11 -10.614  -3.766  -7.914
   88   1HH1  ARG  11          1HH2      ARG  11 -11.683  -6.823  -7.199
   89   2HH1  ARG  11          2HH2      ARG  11 -12.881  -6.359  -6.039
   90   1HH2  ARG  11          2HH1      ARG  11 -11.819  -3.063  -5.864
   91   2HH2  ARG  11          1HH1      ARG  11 -12.960  -4.231  -5.283
   92    H    ARG  12           H        ARG  12  -7.633  -1.774  -7.991
   93    HA   ARG  12           HA       ARG  12  -8.305  -2.726 -10.527
   94   1HB   ARG  12          2HB       ARG  12  -8.323  -0.331 -11.213
   95   2HB   ARG  12          1HB       ARG  12  -9.192  -0.623  -9.707
   96   1HG   ARG  12          2HG       ARG  12  -7.253   0.122  -8.410
   97   2HG   ARG  12          1HG       ARG  12  -6.323   0.345  -9.892
   98   1HD   ARG  12          2HD       ARG  12  -8.959   1.737  -9.634
   99   2HD   ARG  12          1HD       ARG  12  -7.578   2.386  -8.757
  100    HE   ARG  12           HE       ARG  12  -6.880   1.884 -11.474
  101   1HH1  ARG  12          1HH2      ARG  12  -6.197   4.390  -9.917
  102   2HH1  ARG  12          2HH2      ARG  12  -7.132   5.592 -10.742
  103   1HH2  ARG  12          2HH1      ARG  12  -9.174   3.291 -12.340
  104   2HH2  ARG  12          1HH1      ARG  12  -8.817   4.971 -12.113
  105    H    ALA  13           H        ALA  13  -5.251  -1.523  -9.301
  106    HA   ALA  13           HA       ALA  13  -3.998  -1.145 -11.840
  107   1HB   ALA  13          2HB       ALA  13  -2.755  -1.644  -9.125
  108   2HB   ALA  13          1HB       ALA  13  -1.897  -1.075 -10.558
  109   3HB   ALA  13          3HB       ALA  13  -3.135  -0.064  -9.812
  110    H    LEU  14           H        LEU  14  -4.278  -3.853  -9.611
  111    HA   LEU  14           HA       LEU  14  -2.376  -5.512 -10.991
  112   1HB   LEU  14          2HB       LEU  14  -4.283  -5.856  -8.730
  113   2HB   LEU  14          1HB       LEU  14  -3.748  -7.308  -9.575
  114    HG   LEU  14           HG       LEU  14  -1.616  -5.353  -8.915
  115   1HD1  LEU  14          1HD1      LEU  14  -3.406  -5.715  -6.916
  116   2HD1  LEU  14          3HD1      LEU  14  -2.384  -7.129  -6.658
  117   3HD1  LEU  14          2HD1      LEU  14  -1.677  -5.513  -6.631
  118   1HD2  LEU  14          2HD2      LEU  14  -1.989  -8.357  -8.807
  119   2HD2  LEU  14          1HD2      LEU  14  -0.973  -7.434  -9.914
  120   3HD2  LEU  14          3HD2      LEU  14  -0.532  -7.563  -8.211
  121    H    VAL  15           H        VAL  15  -5.793  -4.879 -11.268
  122    HA   VAL  15           HA       VAL  15  -6.323  -7.239 -12.871
  123    HB   VAL  15           HB       VAL  15  -8.091  -4.819 -12.452
  124   1HG1  VAL  15          1HG1      VAL  15  -8.653  -7.683 -13.282
  125   2HG1  VAL  15          3HG1      VAL  15  -9.886  -6.461 -12.973
  126   3HG1  VAL  15          2HG1      VAL  15  -8.762  -6.261 -14.318
  127   1HG2  VAL  15          1HG2      VAL  15  -7.358  -7.075 -10.680
  128   2HG2  VAL  15          3HG2      VAL  15  -8.044  -5.502 -10.275
  129   3HG2  VAL  15          2HG2      VAL  15  -9.092  -6.799 -10.844
  130    H    GLU  16           H        GLU  16  -5.413  -3.917 -13.391
  131    HA   GLU  16           HA       GLU  16  -6.316  -3.536 -16.020
  132   1HB   GLU  16          2HB       GLU  16  -5.107  -1.910 -14.330
  133   2HB   GLU  16          1HB       GLU  16  -3.659  -2.448 -15.181
  134   1HG   GLU  16          2HG       GLU  16  -6.028  -1.634 -16.815
  135   2HG   GLU  16          1HG       GLU  16  -5.069  -0.364 -16.053
  136    H    CYS  17           H        CYS  17  -3.548  -5.272 -14.755
  137    HA   CYS  17           HA       CYS  17  -2.061  -5.517 -17.144
  138   1HB   CYS  17          2HB       CYS  17  -2.251  -7.401 -14.780
  139   2HB   CYS  17          1HB       CYS  17  -1.037  -7.503 -16.056
  140    HG   CYS  17           HG       CYS  17   0.244  -5.875 -14.703
  141    H    ALA  18           H        ALA  18  -4.541  -7.599 -15.689
  142    HA   ALA  18           HA       ALA  18  -4.483  -9.591 -17.713
  143   1HB   ALA  18          1HB       ALA  18  -6.513  -8.820 -15.625
  144   2HB   ALA  18          3HB       ALA  18  -6.836 -10.098 -16.797
  145   3HB   ALA  18          2HB       ALA  18  -5.480 -10.248 -15.679
  146    H    GLY  19           H        GLY  19  -6.111  -6.508 -17.431
  147   1HA   GLY  19          2HA       GLY  19  -7.167  -5.263 -19.086
  148   2HA   GLY  19          1HA       GLY  19  -6.878  -6.583 -20.216
  149    H    GLU  20           H        GLU  20  -8.327  -8.374 -20.246
  150    HA   GLU  20           HA       GLU  20 -11.066  -7.651 -19.878
  151   1HB   GLU  20          2HB       GLU  20  -9.576 -10.005 -20.890
  152   2HB   GLU  20          1HB       GLU  20 -11.175 -10.343 -20.228
  153   1HG   GLU  20          2HG       GLU  20 -11.385  -9.867 -22.610
  154   2HG   GLU  20          1HG       GLU  20 -12.118  -8.552 -21.692
  155    H    THR  21           H        THR  21 -12.600  -8.604 -18.452
  156    HA   THR  21           HA       THR  21 -12.153 -10.468 -16.463
  157    HB   THR  21           HB       THR  21 -10.478  -9.101 -15.429
  158    HG1  THR  21           HG1      THR  21 -12.229  -9.955 -14.097
  159   1HG2  THR  21          3HG2      THR  21 -11.289  -7.000 -16.678
  160   2HG2  THR  21          2HG2      THR  21 -12.412  -6.788 -15.335
  161   3HG2  THR  21          1HG2      THR  21 -10.674  -6.770 -15.042
  162    H    ASP  22           H        ASP  22 -14.044 -10.952 -15.612
  163    HA   ASP  22           HA       ASP  22 -16.330  -9.248 -16.212
  164   1HB   ASP  22          2HB       ASP  22 -17.662 -11.176 -15.355
  165   2HB   ASP  22          1HB       ASP  22 -16.584 -11.614 -16.680
  166    H    GLY  23           H        GLY  23 -14.293 -10.032 -13.508
  167   1HA   GLY  23          2HA       GLY  23 -15.407  -8.037 -11.865
  168   2HA   GLY  23          1HA       GLY  23 -16.057  -9.598 -11.370
  169    H    THR  24           H        THR  24 -15.021 -10.327  -9.677
  170    HA   THR  24           HA       THR  24 -12.213 -10.847  -9.679
  171    HB   THR  24           HB       THR  24 -13.012  -9.025  -7.438
  172    HG1  THR  24           HG1      THR  24 -11.825  -8.020  -9.791
  173   1HG2  THR  24          1HG2      THR  24 -10.805 -10.479  -7.855
  174   2HG2  THR  24          3HG2      THR  24 -10.345  -9.043  -8.769
  175   3HG2  THR  24          2HG2      THR  24 -10.747  -8.907  -7.057
  176    H    ASP  25           H        ASP  25 -11.810 -12.510  -8.340
  177    HA   ASP  25           HA       ASP  25 -14.046 -13.582  -6.797
  178   1HB   ASP  25          2HB       ASP  25 -12.527 -15.558  -6.483
  179   2HB   ASP  25          1HB       ASP  25 -12.885 -15.190  -8.170
  180    H    LEU  26           H        LEU  26 -13.929 -11.804  -5.250
  181    HA   LEU  26           HA       LEU  26 -11.644 -11.758  -3.448
  182   1HB   LEU  26          2HB       LEU  26 -13.511  -9.853  -4.231
  183   2HB   LEU  26          1HB       LEU  26 -14.003 -10.253  -2.587
  184    HG   LEU  26           HG       LEU  26 -11.264 -10.090  -2.333
  185   1HD1  LEU  26          3HD1      LEU  26 -11.659  -9.028  -4.817
  186   2HD1  LEU  26          2HD1      LEU  26 -11.801  -7.584  -3.815
  187   3HD1  LEU  26          1HD1      LEU  26 -10.336  -8.562  -3.748
  188   1HD2  LEU  26          1HD2      LEU  26 -13.593  -8.335  -1.762
  189   2HD2  LEU  26          3HD2      LEU  26 -12.367  -8.971  -0.664
  190   3HD2  LEU  26          2HD2      LEU  26 -12.009  -7.566  -1.666
  191    H    SER  27           H        SER  27 -11.742 -13.846  -2.563
  192    HA   SER  27           HA       SER  27 -14.087 -14.428  -0.867
  193   1HB   SER  27          2HB       SER  27 -11.870 -16.208  -1.895
  194   2HB   SER  27          1HB       SER  27 -13.074 -16.728  -0.720
  195    HG   SER  27           HG       SER  27 -13.293 -16.284  -3.431
  196    H    GLY  28           H        GLY  28 -12.019 -12.459  -0.199
  197   1HA   GLY  28          2HA       GLY  28 -11.678 -12.909   2.504
  198   2HA   GLY  28          1HA       GLY  28 -10.237 -13.576   1.744
  199    H    ASP  29           H        ASP  29  -8.681 -12.142   2.230
  200    HA   ASP  29           HA       ASP  29  -9.204  -9.271   1.956
  201   1HB   ASP  29          2HB       ASP  29  -7.897 -10.459   3.904
  202   2HB   ASP  29          1HB       ASP  29  -6.548 -10.380   2.771
  203    H    PHE  30           H        PHE  30  -8.080 -11.768  -0.008
  204    HA   PHE  30           HA       PHE  30  -6.744 -11.905  -1.873
  205   1HB   PHE  30          2HB       PHE  30  -7.229 -10.216  -3.569
  206   2HB   PHE  30          1HB       PHE  30  -8.695 -10.709  -2.732
  207    HD1  PHE  30           HD2      PHE  30  -6.260  -7.961  -3.213
  208    HD2  PHE  30           HD1      PHE  30  -9.873  -9.187  -1.232
  209    HE1  PHE  30           HE2      PHE  30  -6.735  -5.609  -2.625
  210    HE2  PHE  30           HE1      PHE  30 -10.350  -6.824  -0.653
  211    HZ   PHE  30           HZ       PHE  30  -8.779  -5.036  -1.349
  212    H    LEU  31           H        LEU  31  -5.406 -10.767   0.477
  213    HA   LEU  31           HA       LEU  31  -3.243  -9.402  -0.980
  214   1HB   LEU  31          2HB       LEU  31  -4.495  -8.507   1.610
  215   2HB   LEU  31          1HB       LEU  31  -2.905  -7.957   1.072
  216    HG   LEU  31           HG       LEU  31  -5.228  -7.807  -0.823
  217   1HD1  LEU  31          3HD1      LEU  31  -4.889  -6.255   1.668
  218   2HD1  LEU  31          2HD1      LEU  31  -5.146  -5.284   0.219
  219   3HD1  LEU  31          1HD1      LEU  31  -6.328  -6.508   0.681
  220   1HD2  LEU  31          2HD2      LEU  31  -2.524  -6.592  -0.470
  221   2HD2  LEU  31          1HD2      LEU  31  -3.315  -7.166  -1.938
  222   3HD2  LEU  31          3HD2      LEU  31  -3.765  -5.607  -1.247
  223    H    ASP  32           H        ASP  32  -4.186 -11.289   1.875
  224    HA   ASP  32           HA       ASP  32  -1.732 -11.648   3.109
  225   1HB   ASP  32          2HB       ASP  32  -4.161 -13.374   2.833
  226   2HB   ASP  32          1HB       ASP  32  -2.703 -14.058   3.554
  227    H    LEU  33           H        LEU  33  -2.936 -13.053   0.145
  228    HA   LEU  33           HA       LEU  33  -0.278 -13.940  -0.584
  229   1HB   LEU  33          2HB       LEU  33  -2.438 -15.875   0.157
  230   2HB   LEU  33          1HB       LEU  33  -1.391 -16.265  -1.206
  231    HG   LEU  33           HG       LEU  33   0.416 -15.386   0.700
  232   1HD1  LEU  33          3HD1      LEU  33  -1.629 -15.486   2.289
  233   2HD1  LEU  33          2HD1      LEU  33  -1.475 -17.237   2.149
  234   3HD1  LEU  33          1HD1      LEU  33  -0.145 -16.287   2.811
  235   1HD2  LEU  33          1HD2      LEU  33  -0.572 -18.185   0.073
  236   2HD2  LEU  33          3HD2      LEU  33   0.758 -17.330  -0.709
  237   3HD2  LEU  33          2HD2      LEU  33   0.906 -17.843   0.972
  238    H    ARG  34           H        ARG  34  -0.816 -12.236  -2.126
  239    HA   ARG  34           HA       ARG  34  -2.616 -13.198  -4.270
  240   1HB   ARG  34          2HB       ARG  34  -2.960 -10.904  -2.869
  241   2HB   ARG  34          1HB       ARG  34  -1.947 -10.314  -4.184
  242   1HG   ARG  34          2HG       ARG  34  -4.067 -12.123  -5.111
  243   2HG   ARG  34          1HG       ARG  34  -4.698 -10.690  -4.302
  244   1HD   ARG  34          2HD       ARG  34  -3.083  -9.343  -5.769
  245   2HD   ARG  34          1HD       ARG  34  -2.880 -10.818  -6.709
  246    HE   ARG  34           HE       ARG  34  -5.647 -10.231  -6.392
  247   1HH1  ARG  34          1HH2      ARG  34  -3.262 -10.482  -8.682
  248   2HH1  ARG  34          2HH2      ARG  34  -3.886  -9.284  -9.765
  249   1HH2  ARG  34          2HH1      ARG  34  -6.257  -8.110  -7.519
  250   2HH2  ARG  34          1HH1      ARG  34  -5.581  -7.937  -9.105
  251    H    PHE  35           H        PHE  35   0.444 -11.583  -3.526
  252    HA   PHE  35           HA       PHE  35   1.241 -11.319  -6.268
  253   1HB   PHE  35          2HB       PHE  35   2.499 -10.857  -3.617
  254   2HB   PHE  35          1HB       PHE  35   3.597 -11.188  -4.956
  255    HD1  PHE  35           HD2      PHE  35   0.342  -9.329  -4.675
  256    HD2  PHE  35           HD1      PHE  35   4.488  -9.198  -5.813
  257    HE1  PHE  35           HE2      PHE  35   0.054  -7.002  -5.483
  258    HE2  PHE  35           HE1      PHE  35   4.189  -6.877  -6.611
  259    HZ   PHE  35           HZ       PHE  35   1.982  -5.778  -6.450
  260    H    GLU  36           H        GLU  36   3.028 -13.135  -3.792
  261    HA   GLU  36           HA       GLU  36   4.333 -14.870  -5.518
  262   1HB   GLU  36          2HB       GLU  36   4.736 -14.508  -3.018
  263   2HB   GLU  36          1HB       GLU  36   3.460 -15.697  -2.754
  264   1HG   GLU  36          2HG       GLU  36   4.817 -17.160  -4.442
  265   2HG   GLU  36          1HG       GLU  36   6.149 -16.074  -4.046
  266    H    ASP  37           H        ASP  37   1.049 -15.014  -4.372
  267    HA   ASP  37           HA       ASP  37   0.515 -17.751  -4.735
  268   1HB   ASP  37          2HB       ASP  37  -1.019 -16.085  -3.641
  269   2HB   ASP  37          1HB       ASP  37  -1.423 -15.486  -5.250
  270    H    ILE  38           H        ILE  38  -0.354 -15.095  -6.960
  271    HA   ILE  38           HA       ILE  38  -0.998 -16.772  -9.128
  272    HB   ILE  38           HB       ILE  38  -1.750 -14.439  -8.984
  273   1HG1  ILE  38          2HG1      ILE  38   0.019 -14.851 -11.413
  274   2HG1  ILE  38          1HG1      ILE  38  -1.561 -15.607 -11.202
  275   1HG2  ILE  38          2HG2      ILE  38   1.203 -13.896  -9.203
  276   2HG2  ILE  38          1HG2      ILE  38   0.027 -12.703  -9.748
  277   3HG2  ILE  38          3HG2      ILE  38   0.038 -13.226  -8.066
  278   1HD1  ILE  38          2HD1      ILE  38  -1.065 -12.616 -11.157
  279   2HD1  ILE  38          1HD1      ILE  38  -1.680 -13.509 -12.548
  280   3HD1  ILE  38          3HD1      ILE  38  -2.633 -13.418 -11.067
  281    H    GLY  39           H        GLY  39   2.061 -15.514  -8.004
  282   1HA   GLY  39          2HA       GLY  39   4.086 -16.722  -8.599
  283   2HA   GLY  39          1HA       GLY  39   3.403 -16.970 -10.203
  284    H    TYR  40           H        TYR  40   3.142 -13.914  -8.540
  285    HA   TYR  40           HA       TYR  40   4.704 -12.626 -10.657
  286   1HB   TYR  40          2HB       TYR  40   2.702 -11.701  -8.626
  287   2HB   TYR  40          1HB       TYR  40   3.840 -10.537  -9.297
  288    HD1  TYR  40           HD2      TYR  40   2.153 -13.488 -10.901
  289    HD2  TYR  40           HD1      TYR  40   2.636  -9.220 -10.806
  290    HE1  TYR  40           HE2      TYR  40   0.747 -13.284 -12.932
  291    HE2  TYR  40           HE1      TYR  40   1.227  -9.016 -12.836
  292    HH   TYR  40           HH       TYR  40  -0.639 -11.614 -14.046
  293    H    ASP  41           H        ASP  41   6.718 -13.566  -9.764
  294    HA   ASP  41           HA       ASP  41   7.704 -12.962  -7.197
  295   1HB   ASP  41          2HB       ASP  41   9.964 -13.368  -8.214
  296   2HB   ASP  41          1HB       ASP  41   8.797 -14.654  -8.504
  297    H    SER  42           H        SER  42   8.121 -11.277 -10.294
  298    HA   SER  42           HA       SER  42   8.137  -8.693  -9.198
  299   1HB   SER  42          2HB       SER  42  10.288  -9.369  -8.183
  300   2HB   SER  42          1HB       SER  42  10.914  -9.757  -9.782
  301    HG   SER  42           HG       SER  42  11.501  -7.724  -9.698
  302    H    LEU  43           H        LEU  43   9.591 -10.754 -11.693
  303    HA   LEU  43           HA       LEU  43   9.812  -8.803 -13.713
  304   1HB   LEU  43          2HB       LEU  43   9.816 -10.727 -15.291
  305   2HB   LEU  43          1HB       LEU  43  10.930 -10.942 -13.941
  306    HG   LEU  43           HG       LEU  43   8.650 -12.037 -12.903
  307   1HD1  LEU  43          2HD1      LEU  43   7.488 -11.738 -15.092
  308   2HD1  LEU  43          1HD1      LEU  43   8.703 -12.771 -15.846
  309   3HD1  LEU  43          3HD1      LEU  43   7.619 -13.432 -14.622
  310   1HD2  LEU  43          1HD2      LEU  43  10.868 -13.299 -14.535
  311   2HD2  LEU  43          3HD2      LEU  43  10.776 -13.143 -12.781
  312   3HD2  LEU  43          2HD2      LEU  43   9.695 -14.251 -13.626
  313    H    ALA  44           H        ALA  44   7.117 -10.779 -12.640
  314    HA   ALA  44           HA       ALA  44   5.401 -10.280 -14.858
  315   1HB   ALA  44          2HB       ALA  44   4.721 -10.986 -11.991
  316   2HB   ALA  44          1HB       ALA  44   3.589 -11.024 -13.343
  317   3HB   ALA  44          3HB       ALA  44   4.964 -12.128 -13.313
  318    H    LEU  45           H        LEU  45   5.625  -8.835 -11.618
  319    HA   LEU  45           HA       LEU  45   3.770  -6.707 -12.351
  320   1HB   LEU  45          2HB       LEU  45   4.110  -5.963 -10.014
  321   2HB   LEU  45          1HB       LEU  45   3.607  -7.643 -10.133
  322    HG   LEU  45           HG       LEU  45   6.458  -7.622 -10.265
  323   1HD1  LEU  45          1HD1      LEU  45   5.704  -5.332  -8.963
  324   2HD1  LEU  45          3HD1      LEU  45   5.806  -6.476  -7.628
  325   3HD1  LEU  45          2HD1      LEU  45   7.208  -6.201  -8.660
  326   1HD2  LEU  45          2HD2      LEU  45   4.296  -8.682  -8.520
  327   2HD2  LEU  45          1HD2      LEU  45   5.649  -9.525  -9.275
  328   3HD2  LEU  45          3HD2      LEU  45   5.902  -8.599  -7.795
  329    H    MET  46           H        MET  46   6.859  -7.148 -13.146
  330    HA   MET  46           HA       MET  46   8.224  -4.843 -12.267
  331   1HB   MET  46          2HB       MET  46   9.070  -6.979 -13.550
  332   2HB   MET  46          1HB       MET  46   8.748  -5.997 -14.978
  333   1HG   MET  46          2HG       MET  46  10.221  -4.244 -14.170
  334   2HG   MET  46          1HG       MET  46  10.444  -5.086 -12.636
  335   1HE   MET  46          3HE       MET  46  12.020  -6.776 -12.127
  336   2HE   MET  46          2HE       MET  46  13.485  -6.947 -13.090
  337   3HE   MET  46          1HE       MET  46  12.961  -5.346 -12.576
  338    H    GLU  47           H        GLU  47   6.810  -5.468 -15.484
  339    HA   GLU  47           HA       GLU  47   6.983  -2.766 -16.334
  340   1HB   GLU  47          2HB       GLU  47   5.360  -5.110 -17.331
  341   2HB   GLU  47          1HB       GLU  47   5.324  -3.525 -18.105
  342   1HG   GLU  47          2HG       GLU  47   7.561  -3.651 -18.773
  343   2HG   GLU  47          1HG       GLU  47   7.965  -4.843 -17.538
  344    H    THR  48           H        THR  48   4.572  -4.552 -14.542
  345    HA   THR  48           HA       THR  48   2.329  -2.905 -14.933
  346    HB   THR  48           HB       THR  48   3.067  -4.337 -12.371
  347    HG1  THR  48           HG1      THR  48   1.951  -6.076 -13.320
  348   1HG2  THR  48          2HG2      THR  48   0.488  -3.332 -13.583
  349   2HG2  THR  48          1HG2      THR  48   0.515  -4.554 -12.311
  350   3HG2  THR  48          3HG2      THR  48   1.172  -2.946 -12.004
  351    H    ALA  49           H        ALA  49   4.926  -2.735 -12.523
  352    HA   ALA  49           HA       ALA  49   3.871  -0.350 -11.291
  353   1HB   ALA  49          3HB       ALA  49   5.390  -2.199 -10.243
  354   2HB   ALA  49          2HB       ALA  49   6.708  -1.271 -10.961
  355   3HB   ALA  49          1HB       ALA  49   5.636  -0.515  -9.781
  356    H    ALA  50           H        ALA  50   6.092  -1.092 -13.875
  357    HA   ALA  50           HA       ALA  50   7.570   1.302 -13.949
  358   1HB   ALA  50          3HB       ALA  50   6.864  -0.795 -15.966
  359   2HB   ALA  50          2HB       ALA  50   7.600   0.709 -16.518
  360   3HB   ALA  50          1HB       ALA  50   8.448  -0.313 -15.359
  361    H    ARG  51           H        ARG  51   4.453   0.419 -15.369
  362    HA   ARG  51           HA       ARG  51   4.140   3.062 -16.568
  363   1HB   ARG  51          2HB       ARG  51   3.289   0.713 -17.466
  364   2HB   ARG  51          1HB       ARG  51   1.898   1.094 -16.452
  365   1HG   ARG  51          2HG       ARG  51   1.251   2.131 -18.420
  366   2HG   ARG  51          1HG       ARG  51   2.110   3.460 -17.643
  367   1HD   ARG  51          2HD       ARG  51   3.095   3.461 -19.750
  368   2HD   ARG  51          1HD       ARG  51   4.206   2.436 -18.850
  369    HE   ARG  51           HE       ARG  51   2.019   1.185 -20.385
  370   1HH1  ARG  51          1HH2      ARG  51   3.749  -0.839 -19.534
  371   2HH1  ARG  51          2HH2      ARG  51   5.015  -0.935 -20.712
  372   1HH2  ARG  51          2HH1      ARG  51   4.374   2.197 -22.051
  373   2HH2  ARG  51          1HH1      ARG  51   5.370   0.783 -22.137
  374    H    LEU  52           H        LEU  52   3.110   1.278 -13.750
  375    HA   LEU  52           HA       LEU  52   0.892   2.899 -13.033
  376   1HB   LEU  52          2HB       LEU  52   1.507   0.589 -12.115
  377   2HB   LEU  52          1HB       LEU  52   2.655   1.434 -11.076
  378    HG   LEU  52           HG       LEU  52   0.752   2.886 -10.285
  379   1HD1  LEU  52          3HD1      LEU  52  -0.718   1.001 -12.109
  380   2HD1  LEU  52          2HD1      LEU  52  -1.534   1.654 -10.688
  381   3HD1  LEU  52          1HD1      LEU  52  -0.909   2.745 -11.924
  382   1HD2  LEU  52          3HD2      LEU  52   0.968  -0.062  -9.836
  383   2HD2  LEU  52          2HD2      LEU  52   1.220   1.265  -8.703
  384   3HD2  LEU  52          1HD2      LEU  52  -0.417   0.773  -9.134
  385    H    GLU  53           H        GLU  53   4.328   3.345 -12.759
  386    HA   GLU  53           HA       GLU  53   4.059   5.431 -10.733
  387   1HB   GLU  53          2HB       GLU  53   6.370   4.093 -12.100
  388   2HB   GLU  53          1HB       GLU  53   6.606   5.636 -11.280
  389   1HG   GLU  53          2HG       GLU  53   6.206   4.749  -9.190
  390   2HG   GLU  53          1HG       GLU  53   5.108   3.514  -9.809
  391    H    SER  54           H        SER  54   3.111   5.550 -13.741
  392    HA   SER  54           HA       SER  54   4.574   7.980 -14.513
  393   1HB   SER  54          2HB       SER  54   3.795   7.643 -16.721
  394   2HB   SER  54          1HB       SER  54   4.223   6.036 -16.144
  395    HG   SER  54           HG       SER  54   1.745   7.148 -16.711
  396    H    ARG  55           H        ARG  55   1.323   6.764 -13.839
  397    HA   ARG  55           HA       ARG  55   0.201   9.459 -14.171
  398   1HB   ARG  55          2HB       ARG  55  -1.515   7.207 -13.234
  399   2HB   ARG  55          1HB       ARG  55  -1.885   8.509 -14.360
  400   1HG   ARG  55          2HG       ARG  55  -0.209   7.334 -15.952
  401   2HG   ARG  55          1HG       ARG  55  -0.386   5.945 -14.877
  402   1HD   ARG  55          2HD       ARG  55  -2.042   5.577 -16.510
  403   2HD   ARG  55          1HD       ARG  55  -2.935   6.303 -15.179
  404    HE   ARG  55           HE       ARG  55  -3.469   8.002 -16.647
  405   1HH1  ARG  55          2HH1      ARG  55  -1.612   6.073 -18.547
  406   2HH1  ARG  55          1HH1      ARG  55  -0.850   7.328 -19.467
  407   1HH2  ARG  55          1HH2      ARG  55  -1.965   9.882 -17.401
  408   2HH2  ARG  55          2HH2      ARG  55  -1.050   9.485 -18.817
  409    H    TYR  56           H        TYR  56   2.006   8.580 -11.886
  410    HA   TYR  56           HA       TYR  56   0.196   9.450  -9.723
  411   1HB   TYR  56          2HB       TYR  56   2.265   7.250  -9.650
  412   2HB   TYR  56          1HB       TYR  56   1.616   8.002  -8.192
  413    HD1  TYR  56           HD2      TYR  56   0.421   6.474 -11.422
  414    HD2  TYR  56           HD1      TYR  56  -0.298   7.094  -7.223
  415    HE1  TYR  56           HE2      TYR  56  -1.585   5.025 -11.545
  416    HE2  TYR  56           HE1      TYR  56  -2.304   5.644  -7.356
  417    HH   TYR  56           HH       TYR  56  -2.897   3.537  -9.702
  418    H    GLY  57           H        GLY  57   3.570   9.109 -10.790
  419   1HA   GLY  57          2HA       GLY  57   5.233  10.753 -10.771
  420   2HA   GLY  57          1HA       GLY  57   4.155  11.801  -9.855
  421    H    VAL  58           H        VAL  58   4.719   8.510  -8.832
  422    HA   VAL  58           HA       VAL  58   6.008   9.521  -6.407
  423    HB   VAL  58           HB       VAL  58   4.059   8.049  -6.144
  424   1HG1  VAL  58          1HG1      VAL  58   5.734   6.182  -7.821
  425   2HG1  VAL  58          3HG1      VAL  58   4.464   5.577  -6.760
  426   3HG1  VAL  58          2HG1      VAL  58   4.063   6.682  -8.075
  427   1HG2  VAL  58          2HG2      VAL  58   6.121   7.991  -4.598
  428   2HG2  VAL  58          1HG2      VAL  58   4.976   6.657  -4.479
  429   3HG2  VAL  58          3HG2      VAL  58   6.486   6.445  -5.366
  430    H    SER  59           H        SER  59   7.849   8.304  -5.528
  431    HA   SER  59           HA       SER  59   9.984   8.114  -7.344
  432   1HB   SER  59          2HB       SER  59   9.718   6.892  -4.587
  433   2HB   SER  59          1HB       SER  59  11.224   7.044  -5.485
  434    HG   SER  59           HG       SER  59  10.839   8.781  -4.001
  435    H    ILE  60           H        ILE  60  11.305   6.187  -7.798
  436    HA   ILE  60           HA       ILE  60   9.596   3.811  -8.240
  437    HB   ILE  60           HB       ILE  60  10.200   4.925 -10.335
  438   1HG1  ILE  60          2HG1      ILE  60  11.956   2.480 -10.196
  439   2HG1  ILE  60          1HG1      ILE  60  10.209   2.333  -9.998
  440   1HG2  ILE  60          3HG2      ILE  60  12.733   5.248  -9.008
  441   2HG2  ILE  60          2HG2      ILE  60  12.986   4.388 -10.527
  442   3HG2  ILE  60          1HG2      ILE  60  12.184   5.957 -10.525
  443   1HD1  ILE  60          1HD1      ILE  60  11.396   3.849 -12.321
  444   2HD1  ILE  60          3HD1      ILE  60  11.160   2.103 -12.393
  445   3HD1  ILE  60          2HD1      ILE  60   9.775   3.171 -12.166
  446    HA   PRO  61           HA       PRO  61  13.071   2.382  -5.573
  447   1HB   PRO  61          2HB       PRO  61  11.530   1.041  -3.761
  448   2HB   PRO  61          1HB       PRO  61  11.904   2.767  -3.642
  449   1HG   PRO  61          2HG       PRO  61   9.367   1.446  -4.384
  450   2HG   PRO  61          1HG       PRO  61   9.642   3.058  -3.708
  451   1HD   PRO  61          2HD       PRO  61   9.099   2.416  -6.434
  452   2HD   PRO  61          1HD       PRO  61   9.561   4.005  -5.780
  453    H    ASP  62           H        ASP  62  13.808   0.930  -7.167
  454    HA   ASP  62           HA       ASP  62  12.364  -1.403  -7.959
  455   1HB   ASP  62          2HB       ASP  62  15.118  -0.349  -8.391
  456   2HB   ASP  62          1HB       ASP  62  14.828  -2.062  -8.693
  457    H    ASP  63           H        ASP  63  14.277  -0.689  -5.186
  458    HA   ASP  63           HA       ASP  63  15.293  -3.290  -4.667
  459   1HB   ASP  63          2HB       ASP  63  15.790  -0.904  -3.559
  460   2HB   ASP  63          1HB       ASP  63  14.628  -1.510  -2.379
  461    H    VAL  64           H        VAL  64  12.710  -1.588  -2.878
  462    HA   VAL  64           HA       VAL  64  11.688  -4.038  -1.805
  463    HB   VAL  64           HB       VAL  64  11.511  -1.885  -0.606
  464   1HG1  VAL  64          2HG1      VAL  64  10.974  -0.611  -2.790
  465   2HG1  VAL  64          1HG1      VAL  64   9.308  -1.121  -2.516
  466   3HG1  VAL  64          3HG1      VAL  64  10.130  -0.114  -1.324
  467   1HG2  VAL  64          1HG2      VAL  64   9.776  -3.905  -0.526
  468   2HG2  VAL  64          3HG2      VAL  64   9.497  -2.426   0.395
  469   3HG2  VAL  64          2HG2      VAL  64   8.678  -2.673  -1.148
  470    H    ALA  65           H        ALA  65  10.593  -1.805  -4.334
  471    HA   ALA  65           HA       ALA  65   8.181  -3.154  -4.947
  472   1HB   ALA  65          3HB       ALA  65   8.908  -0.804  -5.682
  473   2HB   ALA  65          2HB       ALA  65   9.812  -1.614  -6.961
  474   3HB   ALA  65          1HB       ALA  65   8.060  -1.788  -6.873
  475    H    GLY  66           H        GLY  66  11.503  -3.642  -5.936
  476   1HA   GLY  66          2HA       GLY  66  10.865  -5.449  -8.095
  477   2HA   GLY  66          1HA       GLY  66  12.467  -5.130  -7.435
  478    H    ARG  67           H        ARG  67  11.524  -5.713  -4.668
  479    HA   ARG  67           HA       ARG  67  11.414  -8.662  -4.910
  480   1HB   ARG  67          2HB       ARG  67  12.892  -6.865  -3.006
  481   2HB   ARG  67          1HB       ARG  67  12.470  -8.513  -2.536
  482   1HG   ARG  67          2HG       ARG  67  13.496  -9.135  -4.880
  483   2HG   ARG  67          1HG       ARG  67  14.313  -7.581  -4.714
  484   1HD   ARG  67          2HD       ARG  67  15.310  -8.256  -2.618
  485   2HD   ARG  67          1HD       ARG  67  14.362  -9.738  -2.591
  486    HE   ARG  67           HE       ARG  67  15.759 -10.613  -4.317
  487   1HH1  ARG  67          1HH2      ARG  67  16.570  -8.497  -6.054
  488   2HH1  ARG  67          2HH2      ARG  67  18.166  -8.067  -5.538
  489   1HH2  ARG  67          2HH1      ARG  67  17.863  -9.593  -2.439
  490   2HH2  ARG  67          1HH1      ARG  67  18.898  -8.687  -3.491
  491    H    VAL  68           H        VAL  68   9.060  -7.104  -4.905
  492    HA   VAL  68           HA       VAL  68   7.993  -7.151  -2.200
  493    HB   VAL  68           HB       VAL  68   7.320  -5.365  -3.795
  494   1HG1  VAL  68          2HG1      VAL  68   7.281  -7.020  -5.783
  495   2HG1  VAL  68          1HG1      VAL  68   5.669  -7.454  -5.218
  496   3HG1  VAL  68          3HG1      VAL  68   6.011  -5.799  -5.718
  497   1HG2  VAL  68          3HG2      VAL  68   5.830  -6.491  -1.903
  498   2HG2  VAL  68          2HG2      VAL  68   5.161  -5.253  -2.966
  499   3HG2  VAL  68          1HG2      VAL  68   4.839  -6.957  -3.285
  500    H    ASP  69           H        ASP  69   7.340  -8.980  -1.308
  501    HA   ASP  69           HA       ASP  69   6.538 -11.231  -3.003
  502   1HB   ASP  69          2HB       ASP  69   7.148 -10.987  -0.055
  503   2HB   ASP  69          1HB       ASP  69   6.487 -12.455  -0.775
  504    H    THR  70           H        THR  70   5.189  -8.911  -0.761
  505    HA   THR  70           HA       THR  70   2.553 -10.230  -1.036
  506    HB   THR  70           HB       THR  70   2.069  -8.652   1.023
  507    HG1  THR  70           HG1      THR  70   3.976  -8.496   2.294
  508   1HG2  THR  70          2HG2      THR  70   2.259 -11.257   0.786
  509   2HG2  THR  70          1HG2      THR  70   3.808 -11.033   1.598
  510   3HG2  THR  70          3HG2      THR  70   2.315 -10.528   2.390
  511    HA   PRO  71           HA       PRO  71   1.172  -6.605  -3.169
  512   1HB   PRO  71          2HB       PRO  71  -1.502  -6.714  -2.637
  513   2HB   PRO  71          1HB       PRO  71  -0.685  -7.807  -3.764
  514   1HG   PRO  71          2HG       PRO  71  -1.638  -8.318  -0.996
  515   2HG   PRO  71          1HG       PRO  71  -1.548  -9.424  -2.376
  516   1HD   PRO  71          2HD       PRO  71   0.266  -9.342  -0.250
  517   2HD   PRO  71          1HD       PRO  71   0.585 -10.077  -1.839
  518    H    ARG  72           H        ARG  72  -0.144  -7.008   0.114
  519    HA   ARG  72           HA       ARG  72  -1.034  -4.403   0.588
  520   1HB   ARG  72          2HB       ARG  72  -1.074  -6.613   2.075
  521   2HB   ARG  72          1HB       ARG  72   0.329  -5.840   2.816
  522   1HG   ARG  72          2HG       ARG  72  -1.327  -4.862   4.087
  523   2HG   ARG  72          1HG       ARG  72  -1.290  -3.711   2.750
  524   1HD   ARG  72          2HD       ARG  72  -3.134  -4.879   1.652
  525   2HD   ARG  72          1HD       ARG  72  -3.137  -6.108   2.910
  526    HE   ARG  72           HE       ARG  72  -3.686  -3.282   3.589
  527   1HH1  ARG  72          2HH1      ARG  72  -3.890  -5.447   5.670
  528   2HH1  ARG  72          1HH1      ARG  72  -5.588  -5.785   5.688
  529   1HH2  ARG  72          1HH2      ARG  72  -6.200  -4.227   2.651
  530   2HH2  ARG  72          2HH2      ARG  72  -6.896  -5.094   3.980
  531    H    GLU  73           H        GLU  73   2.204  -5.722   0.585
  532    HA   GLU  73           HA       GLU  73   3.486  -3.557   1.932
  533   1HB   GLU  73          2HB       GLU  73   4.357  -5.982   1.323
  534   2HB   GLU  73          1HB       GLU  73   4.925  -5.170  -0.137
  535   1HG   GLU  73          2HG       GLU  73   6.749  -4.858   1.272
  536   2HG   GLU  73          1HG       GLU  73   5.834  -3.382   1.582
  537    H    LEU  74           H        LEU  74   2.801  -4.315  -1.449
  538    HA   LEU  74           HA       LEU  74   4.255  -2.251  -2.676
  539   1HB   LEU  74          2HB       LEU  74   2.813  -4.267  -3.660
  540   2HB   LEU  74          1HB       LEU  74   1.601  -2.995  -3.810
  541    HG   LEU  74           HG       LEU  74   3.646  -1.634  -4.821
  542   1HD1  LEU  74          2HD1      LEU  74   4.349  -4.532  -5.386
  543   2HD1  LEU  74          1HD1      LEU  74   5.113  -3.133  -6.141
  544   3HD1  LEU  74          3HD1      LEU  74   5.298  -3.412  -4.409
  545   1HD2  LEU  74          1HD2      LEU  74   1.431  -2.480  -5.887
  546   2HD2  LEU  74          3HD2      LEU  74   2.774  -2.104  -6.966
  547   3HD2  LEU  74          2HD2      LEU  74   2.418  -3.781  -6.552
  548    H    LEU  75           H        LEU  75   0.831  -2.322  -1.657
  549    HA   LEU  75           HA       LEU  75   0.127   0.281  -2.391
  550   1HB   LEU  75          2HB       LEU  75  -1.500  -1.408  -1.614
  551   2HB   LEU  75          1HB       LEU  75  -0.844  -1.288   0.016
  552    HG   LEU  75           HG       LEU  75  -1.386   1.237  -0.152
  553   1HD1  LEU  75          3HD1      LEU  75  -1.768   1.256  -2.594
  554   2HD1  LEU  75          2HD1      LEU  75  -3.136   0.164  -2.382
  555   3HD1  LEU  75          1HD1      LEU  75  -3.199   1.796  -1.716
  556   1HD2  LEU  75          2HD2      LEU  75  -2.695  -0.764   0.992
  557   2HD2  LEU  75          1HD2      LEU  75  -3.412   0.844   0.900
  558   3HD2  LEU  75          3HD2      LEU  75  -3.889  -0.401  -0.254
  559    H    ASP  76           H        ASP  76   1.135  -0.818   0.857
  560    HA   ASP  76           HA       ASP  76   1.298   1.707   2.048
  561   1HB   ASP  76          2HB       ASP  76   2.699  -0.897   2.617
  562   2HB   ASP  76          1HB       ASP  76   3.011   0.546   3.581
  563    H    LEU  77           H        LEU  77   3.433   0.213  -0.237
  564    HA   LEU  77           HA       LEU  77   5.799   1.668   0.434
  565   1HB   LEU  77          2HB       LEU  77   5.351  -0.479  -1.126
  566   2HB   LEU  77          1HB       LEU  77   5.380   0.769  -2.369
  567    HG   LEU  77           HG       LEU  77   7.622  -0.141  -2.043
  568   1HD1  LEU  77          3HD1      LEU  77   7.281   2.325  -2.507
  569   2HD1  LEU  77          2HD1      LEU  77   7.511   2.608  -0.781
  570   3HD1  LEU  77          1HD1      LEU  77   8.820   1.922  -1.743
  571   1HD2  LEU  77          3HD2      LEU  77   6.989  -0.588   0.504
  572   2HD2  LEU  77          2HD2      LEU  77   8.667  -0.361   0.012
  573   3HD2  LEU  77          1HD2      LEU  77   7.769   0.977   0.728
  574    H    ILE  78           H        ILE  78   3.805   1.930  -2.509
  575    HA   ILE  78           HA       ILE  78   4.784   4.372  -3.415
  576    HB   ILE  78           HB       ILE  78   1.982   3.256  -3.724
  577   1HG1  ILE  78          2HG1      ILE  78   3.734   1.697  -4.479
  578   2HG1  ILE  78          1HG1      ILE  78   2.856   2.355  -5.856
  579   1HG2  ILE  78          2HG2      ILE  78   3.450   5.524  -5.033
  580   2HG2  ILE  78          1HG2      ILE  78   2.258   4.609  -5.954
  581   3HG2  ILE  78          3HG2      ILE  78   1.778   5.452  -4.482
  582   1HD1  ILE  78          3HD1      ILE  78   4.965   4.163  -5.413
  583   2HD1  ILE  78          2HD1      ILE  78   5.682   2.562  -5.223
  584   3HD1  ILE  78          1HD1      ILE  78   4.845   2.981  -6.716
  585    H    ASN  79           H        ASN  79   2.320   3.697  -1.041
  586    HA   ASN  79           HA       ASN  79   1.069   6.166  -0.780
  587   1HB   ASN  79          2HB       ASN  79   0.870   3.765   0.497
  588   2HB   ASN  79          1HB       ASN  79   1.612   4.748   1.757
  589   1HD2  ASN  79          2HD2      ASN  79  -2.270   5.094   1.324
  590   2HD2  ASN  79          1HD2      ASN  79  -1.335   3.726   0.956
  591    H    GLY  80           H        GLY  80   3.839   4.939   1.114
  592   1HA   GLY  80          2HA       GLY  80   4.317   7.317   2.550
  593   2HA   GLY  80          1HA       GLY  80   5.494   6.035   2.285
  594    H    ALA  81           H        ALA  81   5.815   6.068  -0.427
  595    HA   ALA  81           HA       ALA  81   7.661   8.132  -0.839
  596   1HB   ALA  81          1HB       ALA  81   6.215   6.355  -2.807
  597   2HB   ALA  81          3HB       ALA  81   7.501   7.469  -3.271
  598   3HB   ALA  81          2HB       ALA  81   7.841   6.145  -2.158
  599    H    LEU  82           H        LEU  82   4.214   8.102  -1.253
  600    HA   LEU  82           HA       LEU  82   4.189  10.433  -2.994
  601   1HB   LEU  82          2HB       LEU  82   2.439   8.405  -2.742
  602   2HB   LEU  82          1HB       LEU  82   1.710   9.548  -1.613
  603    HG   LEU  82           HG       LEU  82   2.597  10.658  -4.227
  604   1HD1  LEU  82          3HD1      LEU  82   0.368   8.651  -3.900
  605   2HD1  LEU  82          2HD1      LEU  82   0.276   9.909  -5.132
  606   3HD1  LEU  82          1HD1      LEU  82   1.594   8.739  -5.165
  607   1HD2  LEU  82          1HD2      LEU  82   0.280  11.000  -2.314
  608   2HD2  LEU  82          3HD2      LEU  82   1.534  12.168  -2.725
  609   3HD2  LEU  82          2HD2      LEU  82   0.290  11.760  -3.906
  610    H    ALA  83           H        ALA  83   3.799   9.655   0.399
  611    HA   ALA  83           HA       ALA  83   2.644  12.106   1.239
  612   1HB   ALA  83          2HB       ALA  83   2.823   9.918   2.562
  613   2HB   ALA  83          1HB       ALA  83   4.475  10.412   2.931
  614   3HB   ALA  83          3HB       ALA  83   3.119  11.412   3.450
  615    H    GLU  84           H        GLU  84   5.974  11.034   0.789
  616    HA   GLU  84           HA       GLU  84   7.282  13.188   2.048
  617   1HB   GLU  84          2HB       GLU  84   8.123  11.401  -0.240
  618   2HB   GLU  84          1HB       GLU  84   9.187  12.610   0.480
  619   1HG   GLU  84          2HG       GLU  84   8.606  11.501   2.740
  620   2HG   GLU  84          1HG       GLU  84   8.000  10.156   1.773
  621    H    ALA  85           H        ALA  85   6.085  12.768  -1.254
  622    HA   ALA  85           HA       ALA  85   7.164  15.143  -2.344
  623   1HB   ALA  85          3HB       ALA  85   6.225  13.321  -3.730
  624   2HB   ALA  85          2HB       ALA  85   4.613  13.711  -3.129
  625   3HB   ALA  85          1HB       ALA  85   5.494  14.880  -4.113
  626    H    ALA  86           HN       ALA  86   4.203  14.455  -0.572
  627    HA   ALA  86           HA       ALA  86   3.785  17.353  -0.252
  628   1HB   ALA  86          2HB       ALA  86   1.619  15.364  -0.977
  629   2HB   ALA  86          1HB       ALA  86   1.350  17.053  -0.547
  630   3HB   ALA  86          3HB       ALA  86   2.237  16.647  -2.017
   
  No H/Q in entry =         630
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -4.934  15.052   5.969
    2   2H    MET   1          3H        MET   1  -5.557  14.087   7.216
    3   3H    MET   1          2H        MET   1  -4.312  13.492   6.226
    4    HA   MET   1           HA       MET   1  -6.241  12.451   5.441
    5   1HB   MET   1          2HB       MET   1  -7.642  14.317   6.674
    6   2HB   MET   1          1HB       MET   1  -7.641  15.082   5.085
    7   1HG   MET   1          2HG       MET   1  -8.836  13.335   4.095
    8   2HG   MET   1          1HG       MET   1  -8.356  12.173   5.333
    9   1HE   MET   1          1HE       MET   1 -11.007  12.804   3.950
   10   2HE   MET   1          3HE       MET   1 -11.311  11.614   5.223
   11   3HE   MET   1          2HE       MET   1 -12.313  13.058   5.104
   12    H    ALA   2           H        ALA   2  -3.875  13.364   4.283
   13    HA   ALA   2           HA       ALA   2  -4.782  14.342   1.640
   14   1HB   ALA   2          2HB       ALA   2  -2.118  14.669   3.036
   15   2HB   ALA   2          1HB       ALA   2  -2.380  15.052   1.333
   16   3HB   ALA   2          3HB       ALA   2  -3.254  15.940   2.581
   17    H    THR   3           H        THR   3  -5.300  11.866   1.670
   18    HA   THR   3           HA       THR   3  -2.945  10.273   0.925
   19    HB   THR   3           HB       THR   3  -5.774   9.251   1.067
   20    HG1  THR   3           HG1      THR   3  -5.705   9.730   3.099
   21   1HG2  THR   3          1HG2      THR   3  -2.997   8.099   1.198
   22   2HG2  THR   3          3HG2      THR   3  -4.367   7.218   1.875
   23   3HG2  THR   3          2HG2      THR   3  -4.341   7.626   0.159
   24    H    LEU   4           H        LEU   4  -2.732   9.289  -1.075
   25    HA   LEU   4           HA       LEU   4  -4.516  10.349  -3.187
   26   1HB   LEU   4          2HB       LEU   4  -1.718  10.564  -2.937
   27   2HB   LEU   4          1HB       LEU   4  -1.978   9.355  -4.190
   28    HG   LEU   4           HG       LEU   4  -1.870  11.610  -5.168
   29   1HD1  LEU   4          3HD1      LEU   4  -3.537   9.752  -5.943
   30   2HD1  LEU   4          2HD1      LEU   4  -4.772  10.823  -5.285
   31   3HD1  LEU   4          1HD1      LEU   4  -3.722  11.383  -6.585
   32   1HD2  LEU   4          1HD2      LEU   4  -2.936  12.566  -2.936
   33   2HD2  LEU   4          3HD2      LEU   4  -3.187  13.396  -4.473
   34   3HD2  LEU   4          2HD2      LEU   4  -4.446  12.348  -3.821
   35    H    LEU   5           H        LEU   5  -2.362   7.590  -2.469
   36    HA   LEU   5           HA       LEU   5  -3.930   5.898  -4.266
   37   1HB   LEU   5          2HB       LEU   5  -1.226   5.946  -3.510
   38   2HB   LEU   5          1HB       LEU   5  -1.879   4.494  -2.753
   39    HG   LEU   5           HG       LEU   5  -2.866   3.848  -4.964
   40   1HD1  LEU   5          1HD1      LEU   5  -2.644   6.401  -5.686
   41   2HD1  LEU   5          3HD1      LEU   5  -1.078   5.853  -6.278
   42   3HD1  LEU   5          2HD1      LEU   5  -2.558   5.108  -6.881
   43   1HD2  LEU   5          1HD2      LEU   5  -0.386   3.386  -4.056
   44   2HD2  LEU   5          3HD2      LEU   5  -0.913   2.821  -5.641
   45   3HD2  LEU   5          2HD2      LEU   5   0.036   4.301  -5.505
   46    H    THR   6           H        THR   6  -5.193   4.211  -3.646
   47    HA   THR   6           HA       THR   6  -5.538   3.773  -0.742
   48    HB   THR   6           HB       THR   6  -7.387   5.166  -1.398
   49    HG1  THR   6           HG1      THR   6  -9.053   3.772  -0.911
   50   1HG2  THR   6          1HG2      THR   6  -7.176   4.746  -3.848
   51   2HG2  THR   6          3HG2      THR   6  -7.911   3.162  -3.609
   52   3HG2  THR   6          2HG2      THR   6  -8.840   4.623  -3.278
   53    H    THR   7           H        THR   7  -6.815   1.747  -0.300
   54    HA   THR   7           HA       THR   7  -5.538  -0.500  -1.378
   55    HB   THR   7           HB       THR   7  -8.232  -0.350   0.004
   56    HG1  THR   7           HG1      THR   7  -5.675  -0.962   1.059
   57   1HG2  THR   7          3HG2      THR   7  -6.313  -2.666  -0.376
   58   2HG2  THR   7          2HG2      THR   7  -7.801  -2.710   0.571
   59   3HG2  THR   7          1HG2      THR   7  -7.873  -2.484  -1.177
   60    H    ASP   8           H        ASP   8  -8.484   1.155  -2.309
   61    HA   ASP   8           HA       ASP   8  -9.653  -0.737  -4.007
   62   1HB   ASP   8          2HB       ASP   8  -9.661   2.257  -3.918
   63   2HB   ASP   8          1HB       ASP   8 -10.345   1.443  -5.326
   64    H    ASP   9           H        ASP   9  -7.112   1.646  -4.625
   65    HA   ASP   9           HA       ASP   9  -6.789   1.077  -7.395
   66   1HB   ASP   9          2HB       ASP   9  -5.846   3.054  -5.889
   67   2HB   ASP   9          1HB       ASP   9  -4.466   1.966  -5.735
   68    H    LEU  10           H        LEU  10  -5.505  -0.261  -4.419
   69    HA   LEU  10           HA       LEU  10  -3.369  -1.806  -5.272
   70   1HB   LEU  10          2HB       LEU  10  -4.476  -1.528  -2.909
   71   2HB   LEU  10          1HB       LEU  10  -5.393  -2.958  -3.375
   72    HG   LEU  10           HG       LEU  10  -2.368  -2.815  -3.482
   73   1HD1  LEU  10          1HD1      LEU  10  -4.253  -3.789  -1.319
   74   2HD1  LEU  10          3HD1      LEU  10  -2.566  -4.293  -1.411
   75   3HD1  LEU  10          2HD1      LEU  10  -2.967  -2.593  -1.167
   76   1HD2  LEU  10          1HD2      LEU  10  -4.434  -5.008  -3.770
   77   2HD2  LEU  10          3HD2      LEU  10  -3.167  -4.551  -4.909
   78   3HD2  LEU  10          2HD2      LEU  10  -2.746  -5.361  -3.400
   79    H    ARG  11           H        ARG  11  -6.748  -2.909  -4.987
   80    HA   ARG  11           HA       ARG  11  -6.394  -5.400  -6.242
   81   1HB   ARG  11          2HB       ARG  11  -8.470  -4.177  -4.974
   82   2HB   ARG  11          1HB       ARG  11  -9.014  -4.085  -6.647
   83   1HG   ARG  11          2HG       ARG  11  -7.866  -6.695  -5.843
   84   2HG   ARG  11          1HG       ARG  11  -9.384  -6.269  -5.054
   85   1HD   ARG  11          2HD       ARG  11  -9.017  -6.039  -8.042
   86   2HD   ARG  11          1HD       ARG  11  -9.558  -7.532  -7.282
   87    HE   ARG  11           HE       ARG  11 -11.057  -5.071  -6.697
   88   1HH1  ARG  11          2HH1      ARG  11 -12.323  -7.616  -6.003
   89   2HH1  ARG  11          1HH1      ARG  11 -13.333  -7.965  -7.367
   90   1HH2  ARG  11          1HH2      ARG  11 -11.712  -5.738  -9.474
   91   2HH2  ARG  11          2HH2      ARG  11 -12.988  -6.903  -9.330
   92    H    ARG  12           H        ARG  12  -7.495  -2.290  -7.548
   93    HA   ARG  12           HA       ARG  12  -8.050  -3.041 -10.166
   94   1HB   ARG  12          2HB       ARG  12  -7.254  -0.507  -8.837
   95   2HB   ARG  12          1HB       ARG  12  -7.092  -0.568 -10.592
   96   1HG   ARG  12          2HG       ARG  12  -9.622  -1.649  -9.461
   97   2HG   ARG  12          1HG       ARG  12  -9.403   0.099  -9.369
   98   1HD   ARG  12          2HD       ARG  12  -8.586  -0.399 -11.931
   99   2HD   ARG  12          1HD       ARG  12  -9.829  -1.629 -11.728
  100    HE   ARG  12           HE       ARG  12 -11.127   0.533 -10.839
  101   1HH1  ARG  12          2HH1      ARG  12  -8.637   1.412 -12.822
  102   2HH1  ARG  12          1HH1      ARG  12  -9.601   2.019 -14.126
  103   1HH2  ARG  12          1HH2      ARG  12 -12.574   0.751 -12.868
  104   2HH2  ARG  12          2HH2      ARG  12 -11.831   1.645 -14.152
  105    H    ALA  13           H        ALA  13  -4.957  -2.725  -8.606
  106    HA   ALA  13           HA       ALA  13  -3.474  -2.569 -11.099
  107   1HB   ALA  13          3HB       ALA  13  -2.794  -1.590  -8.781
  108   2HB   ALA  13          2HB       ALA  13  -2.239  -3.229  -8.444
  109   3HB   ALA  13          1HB       ALA  13  -1.555  -2.327  -9.796
  110    H    LEU  14           H        LEU  14  -4.178  -4.981  -8.607
  111    HA   LEU  14           HA       LEU  14  -2.494  -7.019  -9.624
  112   1HB   LEU  14          2HB       LEU  14  -4.783  -6.906  -7.724
  113   2HB   LEU  14          1HB       LEU  14  -4.354  -8.482  -8.392
  114    HG   LEU  14           HG       LEU  14  -2.254  -6.649  -7.237
  115   1HD1  LEU  14          3HD1      LEU  14  -4.257  -8.359  -5.836
  116   2HD1  LEU  14          2HD1      LEU  14  -2.593  -8.418  -5.250
  117   3HD1  LEU  14          1HD1      LEU  14  -3.460  -6.883  -5.290
  118   1HD2  LEU  14          3HD2      LEU  14  -2.488  -9.515  -8.080
  119   2HD2  LEU  14          2HD2      LEU  14  -1.175  -8.371  -8.360
  120   3HD2  LEU  14          1HD2      LEU  14  -1.374  -9.114  -6.772
  121    H    VAL  15           H        VAL  15  -5.661  -5.903 -10.566
  122    HA   VAL  15           HA       VAL  15  -6.295  -8.281 -12.094
  123    HB   VAL  15           HB       VAL  15  -7.624  -5.563 -12.200
  124   1HG1  VAL  15          3HG1      VAL  15  -8.441  -8.353 -13.056
  125   2HG1  VAL  15          2HG1      VAL  15  -9.579  -7.012 -12.919
  126   3HG1  VAL  15          1HG1      VAL  15  -8.255  -6.929 -14.081
  127   1HG2  VAL  15          2HG2      VAL  15  -7.730  -7.779 -10.223
  128   2HG2  VAL  15          1HG2      VAL  15  -8.078  -6.064 -10.010
  129   3HG2  VAL  15          3HG2      VAL  15  -9.287  -7.125 -10.729
  130    H    GLU  16           H        GLU  16  -4.931  -5.099 -12.662
  131    HA   GLU  16           HA       GLU  16  -5.101  -5.075 -15.484
  132   1HB   GLU  16          2HB       GLU  16  -3.387  -3.666 -13.468
  133   2HB   GLU  16          1HB       GLU  16  -2.976  -3.555 -15.181
  134   1HG   GLU  16          2HG       GLU  16  -5.549  -3.016 -15.447
  135   2HG   GLU  16          1HG       GLU  16  -5.415  -2.555 -13.750
  136    H    CYS  17           H        CYS  17  -2.632  -6.291 -13.256
  137    HA   CYS  17           HA       CYS  17  -0.737  -7.019 -15.249
  138   1HB   CYS  17          2HB       CYS  17  -1.161  -8.017 -12.424
  139   2HB   CYS  17          1HB       CYS  17   0.199  -8.499 -13.441
  140    HG   CYS  17           HG       CYS  17   0.892  -6.383 -12.008
  141    H    ALA  18           H        ALA  18  -3.043  -8.990 -13.369
  142    HA   ALA  18           HA       ALA  18  -3.421 -10.739 -15.678
  143   1HB   ALA  18          3HB       ALA  18  -1.490 -11.709 -14.420
  144   2HB   ALA  18          2HB       ALA  18  -2.539 -11.867 -13.012
  145   3HB   ALA  18          1HB       ALA  18  -2.894 -12.776 -14.480
  146    H    GLY  19           H        GLY  19  -5.555 -10.058 -15.710
  147   1HA   GLY  19          2HA       GLY  19  -7.277  -9.923 -13.476
  148   2HA   GLY  19          1HA       GLY  19  -7.792 -10.072 -15.154
  149    H    GLU  20           H        GLU  20  -7.177 -11.734 -12.184
  150    HA   GLU  20           HA       GLU  20  -8.445 -14.149 -13.302
  151   1HB   GLU  20          2HB       GLU  20  -5.790 -14.165 -12.886
  152   2HB   GLU  20          1HB       GLU  20  -6.330 -14.566 -11.255
  153   1HG   GLU  20          2HG       GLU  20  -7.134 -16.611 -11.879
  154   2HG   GLU  20          1HG       GLU  20  -7.708 -16.022 -13.439
  155    H    THR  21           H        THR  21  -9.283 -15.593 -11.578
  156    HA   THR  21           HA       THR  21  -9.543 -14.783  -8.890
  157    HB   THR  21           HB       THR  21 -10.865 -12.926  -9.688
  158    HG1  THR  21           HG1      THR  21 -11.623 -14.169  -7.873
  159   1HG2  THR  21          3HG2      THR  21 -11.387 -14.168 -11.899
  160   2HG2  THR  21          2HG2      THR  21 -12.752 -14.859 -11.023
  161   3HG2  THR  21          1HG2      THR  21 -12.634 -13.112 -11.236
  162    H    ASP  22           H        ASP  22  -9.788 -16.685  -7.957
  163    HA   ASP  22           HA       ASP  22 -11.274 -18.807  -9.346
  164   1HB   ASP  22          2HB       ASP  22  -9.255 -18.785  -7.120
  165   2HB   ASP  22          1HB       ASP  22 -10.304 -20.181  -7.363
  166    H    GLY  23           H        GLY  23 -12.551 -16.496  -7.913
  167   1HA   GLY  23          2HA       GLY  23 -14.861 -17.120  -7.038
  168   2HA   GLY  23          1HA       GLY  23 -13.974 -17.990  -5.792
  169    H    THR  24           H        THR  24 -11.864 -15.946  -5.651
  170    HA   THR  24           HA       THR  24 -11.354 -14.039  -4.482
  171    HB   THR  24           HB       THR  24 -14.097 -12.926  -4.773
  172    HG1  THR  24           HG1      THR  24 -13.809 -12.575  -6.931
  173   1HG2  THR  24          3HG2      THR  24 -11.301 -11.859  -5.244
  174   2HG2  THR  24          2HG2      THR  24 -12.782 -10.907  -5.338
  175   3HG2  THR  24          1HG2      THR  24 -12.276 -11.600  -3.797
  176    H    ASP  25           H        ASP  25 -11.246 -13.712  -2.360
  177    HA   ASP  25           HA       ASP  25 -13.544 -14.568  -0.701
  178   1HB   ASP  25          2HB       ASP  25 -10.593 -14.789  -0.049
  179   2HB   ASP  25          1HB       ASP  25 -11.917 -15.228   1.031
  180    H    LEU  26           H        LEU  26 -14.018 -12.184  -1.193
  181    HA   LEU  26           HA       LEU  26 -12.469 -10.323   0.451
  182   1HB   LEU  26          2HB       LEU  26 -13.573  -9.919  -1.945
  183   2HB   LEU  26          1HB       LEU  26 -14.960  -9.473  -0.949
  184    HG   LEU  26           HG       LEU  26 -13.024  -8.149   0.385
  185   1HD1  LEU  26          2HD1      LEU  26 -11.333  -8.971  -1.312
  186   2HD1  LEU  26          1HD1      LEU  26 -12.167  -7.988  -2.516
  187   3HD1  LEU  26          3HD1      LEU  26 -11.398  -7.218  -1.129
  188   1HD2  LEU  26          3HD2      LEU  26 -15.144  -7.234  -0.573
  189   2HD2  LEU  26          2HD2      LEU  26 -13.776  -6.146  -0.799
  190   3HD2  LEU  26          1HD2      LEU  26 -14.354  -7.126  -2.145
  191    H    SER  27           H        SER  27 -13.195 -11.691   2.356
  192    HA   SER  27           HA       SER  27 -15.703 -10.551   3.425
  193   1HB   SER  27          2HB       SER  27 -15.605 -13.138   2.744
  194   2HB   SER  27          1HB       SER  27 -14.874 -13.259   4.342
  195    HG   SER  27           HG       SER  27 -17.258 -13.383   4.189
  196    H    GLY  28           H        GLY  28 -12.949  -9.677   3.718
  197   1HA   GLY  28          2HA       GLY  28 -12.888  -9.335   6.552
  198   2HA   GLY  28          1HA       GLY  28 -11.646 -10.471   6.030
  199    H    ASP  29           H        ASP  29 -10.404  -9.648   4.007
  200    HA   ASP  29           HA       ASP  29  -9.987  -6.744   4.080
  201   1HB   ASP  29          2HB       ASP  29  -7.888  -8.812   4.731
  202   2HB   ASP  29          1HB       ASP  29  -7.468  -7.200   4.150
  203    H    PHE  30           H        PHE  30  -8.159  -9.483   2.814
  204    HA   PHE  30           HA       PHE  30  -8.285 -10.368   0.611
  205   1HB   PHE  30          2HB       PHE  30  -8.943  -9.235  -1.264
  206   2HB   PHE  30          1HB       PHE  30  -9.862  -8.381  -0.046
  207    HD1  PHE  30           HD2      PHE  30  -7.646  -6.650   1.122
  208    HD2  PHE  30           HD1      PHE  30  -8.630  -7.599  -2.945
  209    HE1  PHE  30           HE2      PHE  30  -6.588  -4.556   0.389
  210    HE2  PHE  30           HE1      PHE  30  -7.553  -5.489  -3.685
  211    HZ   PHE  30           HZ       PHE  30  -6.528  -3.969  -2.008
  212    H    LEU  31           H        LEU  31  -6.210  -9.261   2.480
  213    HA   LEU  31           HA       LEU  31  -4.075  -9.022   0.453
  214   1HB   LEU  31          2HB       LEU  31  -4.140  -7.629   3.147
  215   2HB   LEU  31          1HB       LEU  31  -2.848  -7.526   1.948
  216    HG   LEU  31           HG       LEU  31  -5.719  -6.666   1.539
  217   1HD1  LEU  31          1HD1      LEU  31  -3.177  -5.102   1.957
  218   2HD1  LEU  31          3HD1      LEU  31  -4.642  -4.389   1.280
  219   3HD1  LEU  31          2HD1      LEU  31  -4.652  -5.044   2.920
  220   1HD2  LEU  31          2HD2      LEU  31  -3.570  -7.265  -0.330
  221   2HD2  LEU  31          1HD2      LEU  31  -5.258  -6.913  -0.666
  222   3HD2  LEU  31          3HD2      LEU  31  -4.101  -5.594  -0.493
  223    H    ASP  32           H        ASP  32  -3.038  -9.124   3.753
  224    HA   ASP  32           HA       ASP  32  -1.589 -10.688   4.706
  225   1HB   ASP  32          2HB       ASP  32  -4.330 -11.889   4.518
  226   2HB   ASP  32          1HB       ASP  32  -3.013 -12.811   5.245
  227    H    LEU  33           H        LEU  33  -0.528 -10.747   2.384
  228    HA   LEU  33           HA       LEU  33   0.716 -12.049   0.942
  229   1HB   LEU  33          2HB       LEU  33   0.100 -13.872   3.066
  230   2HB   LEU  33          1HB       LEU  33  -0.126 -14.725   1.542
  231    HG   LEU  33           HG       LEU  33   2.189 -14.963   2.306
  232   1HD1  LEU  33          1HD1      LEU  33   1.461 -14.405  -0.202
  233   2HD1  LEU  33          3HD1      LEU  33   2.475 -12.990   0.083
  234   3HD1  LEU  33          2HD1      LEU  33   3.155 -14.608   0.243
  235   1HD2  LEU  33          1HD2      LEU  33   1.896 -12.040   2.702
  236   2HD2  LEU  33          3HD2      LEU  33   2.887 -13.203   3.582
  237   3HD2  LEU  33          2HD2      LEU  33   3.445 -12.558   2.039
  238    H    ARG  34           H        ARG  34   0.035 -11.928  -1.074
  239    HA   ARG  34           HA       ARG  34  -2.270 -13.536  -1.925
  240   1HB   ARG  34          2HB       ARG  34  -3.096 -11.235  -1.359
  241   2HB   ARG  34          1HB       ARG  34  -2.045 -10.597  -2.622
  242   1HG   ARG  34          2HG       ARG  34  -3.191 -12.048  -4.279
  243   2HG   ARG  34          1HG       ARG  34  -4.271 -12.618  -3.007
  244   1HD   ARG  34          2HD       ARG  34  -4.474  -9.889  -2.740
  245   2HD   ARG  34          1HD       ARG  34  -4.284 -10.070  -4.481
  246    HE   ARG  34           HE       ARG  34  -6.272 -11.806  -3.230
  247   1HH1  ARG  34          2HH1      ARG  34  -6.099  -8.503  -3.776
  248   2HH1  ARG  34          1HH1      ARG  34  -7.461  -8.414  -4.843
  249   1HH2  ARG  34          1HH2      ARG  34  -7.813 -11.853  -5.108
  250   2HH2  ARG  34          2HH2      ARG  34  -8.431 -10.310  -5.598
  251    H    PHE  35           H        PHE  35   0.420 -11.413  -2.891
  252    HA   PHE  35           HA       PHE  35   0.452 -11.989  -5.634
  253   1HB   PHE  35          2HB       PHE  35   2.555 -11.140  -3.671
  254   2HB   PHE  35          1HB       PHE  35   3.022 -11.584  -5.309
  255    HD1  PHE  35           HD2      PHE  35   0.043  -9.762  -3.912
  256    HD2  PHE  35           HD1      PHE  35   3.427  -9.657  -6.565
  257    HE1  PHE  35           HE2      PHE  35  -0.652  -7.523  -4.713
  258    HE2  PHE  35           HE1      PHE  35   2.725  -7.419  -7.359
  259    HZ   PHE  35           HZ       PHE  35   0.692  -6.352  -6.437
  260    H    GLU  36           H        GLU  36   1.654 -13.791  -2.878
  261    HA   GLU  36           HA       GLU  36   3.150 -15.694  -4.447
  262   1HB   GLU  36          2HB       GLU  36   3.439 -15.022  -1.925
  263   2HB   GLU  36          1HB       GLU  36   2.213 -16.263  -1.659
  264   1HG   GLU  36          2HG       GLU  36   3.774 -17.674  -3.279
  265   2HG   GLU  36          1HG       GLU  36   5.005 -16.550  -2.699
  266    H    ASP  37           H        ASP  37  -0.109 -15.421  -3.211
  267    HA   ASP  37           HA       ASP  37  -0.962 -18.073  -3.265
  268   1HB   ASP  37          2HB       ASP  37  -2.266 -15.996  -2.524
  269   2HB   ASP  37          1HB       ASP  37  -2.677 -15.786  -4.226
  270    H    ILE  38           H        ILE  38  -0.372 -15.848  -5.898
  271    HA   ILE  38           HA       ILE  38  -1.277 -17.912  -7.819
  272    HB   ILE  38           HB       ILE  38  -0.691 -15.182  -8.839
  273   1HG1  ILE  38          2HG1      ILE  38  -3.287 -14.783  -8.188
  274   2HG1  ILE  38          1HG1      ILE  38  -2.778 -15.713  -6.779
  275   1HG2  ILE  38          2HG2      ILE  38  -1.930 -17.520  -9.754
  276   2HG2  ILE  38          1HG2      ILE  38  -3.261 -16.391  -9.498
  277   3HG2  ILE  38          3HG2      ILE  38  -1.923 -15.952 -10.559
  278   1HD1  ILE  38          3HD1      ILE  38  -0.745 -14.081  -6.733
  279   2HD1  ILE  38          2HD1      ILE  38  -1.751 -13.059  -7.758
  280   3HD1  ILE  38          1HD1      ILE  38  -2.303 -13.502  -6.143
  281    H    GLY  39           H        GLY  39   0.037 -17.494 -10.023
  282   1HA   GLY  39          2HA       GLY  39   2.824 -17.976  -9.292
  283   2HA   GLY  39          1HA       GLY  39   2.091 -18.275 -10.865
  284    H    TYR  40           H        TYR  40   2.366 -15.391  -8.771
  285    HA   TYR  40           HA       TYR  40   2.849 -13.686 -11.047
  286   1HB   TYR  40          2HB       TYR  40   2.458 -13.316  -8.135
  287   2HB   TYR  40          1HB       TYR  40   3.518 -12.135  -8.903
  288    HD1  TYR  40           HD2      TYR  40   2.694 -10.749 -10.799
  289    HD2  TYR  40           HD1      TYR  40   0.094 -13.378  -8.613
  290    HE1  TYR  40           HE2      TYR  40   0.720  -9.582 -11.742
  291    HE2  TYR  40           HE1      TYR  40  -1.880 -12.210  -9.557
  292    HH   TYR  40           HH       TYR  40  -1.984  -9.401 -10.691
  293    H    ASP  41           H        ASP  41   4.717 -13.889 -12.083
  294    HA   ASP  41           HA       ASP  41   7.142 -14.822 -11.016
  295   1HB   ASP  41          2HB       ASP  41   8.180 -13.969 -13.055
  296   2HB   ASP  41          1HB       ASP  41   6.648 -14.745 -13.431
  297    H    SER  42           H        SER  42   5.754 -11.641 -11.215
  298    HA   SER  42           HA       SER  42   6.167  -9.817  -9.804
  299   1HB   SER  42          2HB       SER  42   8.997 -10.759  -9.355
  300   2HB   SER  42          1HB       SER  42   8.081  -9.575  -8.429
  301    HG   SER  42           HG       SER  42   8.293 -11.898  -7.662
  302    H    LEU  43           H        LEU  43   8.286 -11.000 -12.296
  303    HA   LEU  43           HA       LEU  43   9.566  -8.497 -12.848
  304   1HB   LEU  43          2HB       LEU  43  10.292 -10.896 -13.553
  305   2HB   LEU  43          1HB       LEU  43   9.180 -10.657 -14.901
  306    HG   LEU  43           HG       LEU  43  10.448  -8.341 -15.113
  307   1HD1  LEU  43          3HD1      LEU  43  11.814  -8.683 -13.085
  308   2HD1  LEU  43          2HD1      LEU  43  12.498 -10.147 -13.792
  309   3HD1  LEU  43          1HD1      LEU  43  12.833  -8.575 -14.519
  310   1HD2  LEU  43          3HD2      LEU  43  11.363 -11.069 -16.030
  311   2HD2  LEU  43          2HD2      LEU  43  10.476  -9.849 -16.942
  312   3HD2  LEU  43          1HD2      LEU  43  12.180  -9.600 -16.563
  313    H    ALA  44           H        ALA  44   6.564 -10.023 -13.784
  314    HA   ALA  44           HA       ALA  44   6.028  -8.322 -16.030
  315   1HB   ALA  44          3HB       ALA  44   4.979 -10.659 -15.303
  316   2HB   ALA  44          2HB       ALA  44   3.803  -9.606 -14.515
  317   3HB   ALA  44          1HB       ALA  44   4.061  -9.493 -16.256
  318    H    LEU  45           H        LEU  45   4.774  -8.454 -12.689
  319    HA   LEU  45           HA       LEU  45   3.258  -6.050 -12.958
  320   1HB   LEU  45          2HB       LEU  45   2.922  -6.197 -10.545
  321   2HB   LEU  45          1HB       LEU  45   2.689  -7.773 -11.293
  322    HG   LEU  45           HG       LEU  45   5.343  -7.914 -10.736
  323   1HD1  LEU  45          1HD1      LEU  45   4.859  -5.574  -9.558
  324   2HD1  LEU  45          3HD1      LEU  45   4.292  -6.619  -8.256
  325   3HD1  LEU  45          2HD1      LEU  45   5.956  -6.748  -8.827
  326   1HD2  LEU  45          2HD2      LEU  45   2.851  -8.716  -9.316
  327   2HD2  LEU  45          1HD2      LEU  45   4.165  -9.718  -9.930
  328   3HD2  LEU  45          3HD2      LEU  45   4.352  -8.860  -8.402
  329    H    MET  46           H        MET  46   6.594  -6.548 -12.662
  330    HA   MET  46           HA       MET  46   7.224  -4.252 -11.051
  331   1HB   MET  46          2HB       MET  46   8.749  -6.218 -11.297
  332   2HB   MET  46          1HB       MET  46   9.005  -5.762 -12.981
  333   1HG   MET  46          2HG       MET  46   9.990  -3.654 -12.338
  334   2HG   MET  46          1HG       MET  46   9.544  -3.903 -10.649
  335   1HE   MET  46          1HE       MET  46  10.895  -5.515 -13.609
  336   2HE   MET  46          3HE       MET  46  12.545  -4.926 -13.364
  337   3HE   MET  46          2HE       MET  46  12.164  -6.628 -13.107
  338    H    GLU  47           H        GLU  47   7.336  -4.990 -14.534
  339    HA   GLU  47           HA       GLU  47   8.235  -2.427 -15.351
  340   1HB   GLU  47          2HB       GLU  47   6.706  -4.566 -16.847
  341   2HB   GLU  47          1HB       GLU  47   7.362  -3.113 -17.601
  342   1HG   GLU  47          2HG       GLU  47   9.605  -3.836 -16.481
  343   2HG   GLU  47          1HG       GLU  47   8.839  -5.420 -16.356
  344    H    THR  48           H        THR  48   4.989  -3.869 -15.182
  345    HA   THR  48           HA       THR  48   3.555  -1.674 -16.205
  346    HB   THR  48           HB       THR  48   2.579  -3.625 -14.109
  347    HG1  THR  48           HG1      THR  48   1.977  -4.877 -15.896
  348   1HG2  THR  48          1HG2      THR  48   1.177  -1.990 -16.242
  349   2HG2  THR  48          3HG2      THR  48   0.394  -3.193 -15.218
  350   3HG2  THR  48          2HG2      THR  48   1.080  -1.736 -14.499
  351    H    ALA  49           H        ALA  49   4.432  -2.534 -12.878
  352    HA   ALA  49           HA       ALA  49   3.107  -0.379 -11.610
  353   1HB   ALA  49          2HB       ALA  49   5.520  -1.987 -10.746
  354   2HB   ALA  49          1HB       ALA  49   4.666  -0.843  -9.712
  355   3HB   ALA  49          3HB       ALA  49   3.837  -2.280 -10.305
  356    H    ALA  50           H        ALA  50   6.188  -0.638 -13.236
  357    HA   ALA  50           HA       ALA  50   7.415   1.683 -12.156
  358   1HB   ALA  50          3HB       ALA  50   8.445  -0.235 -13.591
  359   2HB   ALA  50          2HB       ALA  50   7.926   0.744 -14.964
  360   3HB   ALA  50          1HB       ALA  50   9.062   1.405 -13.788
  361    H    ARG  51           H        ARG  51   5.683   1.158 -15.232
  362    HA   ARG  51           HA       ARG  51   5.759   3.836 -16.105
  363   1HB   ARG  51          2HB       ARG  51   4.123   1.436 -16.776
  364   2HB   ARG  51          1HB       ARG  51   3.522   3.011 -17.300
  365   1HG   ARG  51          2HG       ARG  51   5.403   3.426 -18.640
  366   2HG   ARG  51          1HG       ARG  51   6.393   2.246 -17.782
  367   1HD   ARG  51          2HD       ARG  51   5.496   0.455 -18.922
  368   2HD   ARG  51          1HD       ARG  51   3.944   1.249 -19.162
  369    HE   ARG  51           HE       ARG  51   4.869   2.390 -21.045
  370   1HH1  ARG  51          1HH2      ARG  51   7.741   2.493 -19.950
  371   2HH1  ARG  51          2HH2      ARG  51   8.557   1.436 -21.053
  372   1HH2  ARG  51          2HH1      ARG  51   5.635   0.030 -22.283
  373   2HH2  ARG  51          1HH1      ARG  51   7.366   0.042 -22.374
  374    H    LEU  52           H        LEU  52   3.601   2.131 -13.933
  375    HA   LEU  52           HA       LEU  52   1.552   4.114 -13.848
  376   1HB   LEU  52          2HB       LEU  52   1.274   1.737 -13.092
  377   2HB   LEU  52          1HB       LEU  52   2.273   2.118 -11.690
  378    HG   LEU  52           HG       LEU  52   0.007   3.965 -12.235
  379   1HD1  LEU  52          2HD1      LEU  52  -0.318   1.083 -11.394
  380   2HD1  LEU  52          1HD1      LEU  52  -1.478   2.321 -10.913
  381   3HD1  LEU  52          3HD1      LEU  52  -1.219   1.971 -12.622
  382   1HD2  LEU  52          2HD2      LEU  52   1.490   2.805  -9.898
  383   2HD2  LEU  52          1HD2      LEU  52   1.147   4.494 -10.273
  384   3HD2  LEU  52          3HD2      LEU  52  -0.129   3.453  -9.642
  385    H    GLU  53           H        GLU  53   4.573   3.626 -12.141
  386    HA   GLU  53           HA       GLU  53   4.129   5.472 -10.031
  387   1HB   GLU  53          2HB       GLU  53   6.559   4.217 -11.258
  388   2HB   GLU  53          1HB       GLU  53   6.748   5.546 -10.115
  389   1HG   GLU  53          2HG       GLU  53   5.279   4.276  -8.511
  390   2HG   GLU  53          1HG       GLU  53   5.334   2.912  -9.628
  391    H    SER  54           H        SER  54   5.134   5.828 -13.359
  392    HA   SER  54           HA       SER  54   6.265   8.423 -13.163
  393   1HB   SER  54          2HB       SER  54   5.119   6.812 -15.425
  394   2HB   SER  54          1HB       SER  54   5.579   8.495 -15.669
  395    HG   SER  54           HG       SER  54   7.131   6.297 -15.472
  396    H    ARG  55           H        ARG  55   2.979   7.249 -13.415
  397    HA   ARG  55           HA       ARG  55   1.694   9.587 -14.296
  398   1HB   ARG  55          2HB       ARG  55   0.621   7.328 -14.076
  399   2HB   ARG  55          1HB       ARG  55   0.575   7.578 -12.330
  400   1HG   ARG  55          2HG       ARG  55  -1.099   9.133 -12.458
  401   2HG   ARG  55          1HG       ARG  55  -0.511   9.792 -13.985
  402   1HD   ARG  55          2HD       ARG  55  -1.295   7.594 -15.050
  403   2HD   ARG  55          1HD       ARG  55  -2.156   7.297 -13.543
  404    HE   ARG  55           HE       ARG  55  -2.647   9.736 -15.156
  405   1HH1  ARG  55          2HH1      ARG  55  -3.804   8.165 -12.487
  406   2HH1  ARG  55          1HH1      ARG  55  -5.436   7.984 -13.037
  407   1HH2  ARG  55          1HH2      ARG  55  -4.732   8.968 -16.285
  408   2HH2  ARG  55          2HH2      ARG  55  -5.961   8.438 -15.186
  409    H    TYR  56           H        TYR  56   1.844   8.384 -10.936
  410    HA   TYR  56           HA       TYR  56   0.944  10.782  -9.760
  411   1HB   TYR  56          2HB       TYR  56   2.771   8.789  -8.409
  412   2HB   TYR  56          1HB       TYR  56   1.588   9.854  -7.656
  413    HD1  TYR  56           HD2      TYR  56  -0.774   9.527  -9.405
  414    HD2  TYR  56           HD1      TYR  56   2.030   6.599  -7.974
  415    HE1  TYR  56           HE2      TYR  56  -2.496   7.759  -9.644
  416    HE2  TYR  56           HE1      TYR  56   0.307   4.835  -8.217
  417    HH   TYR  56           HH       TYR  56  -2.082   4.827  -9.962
  418    H    GLY  57           H        GLY  57   4.111   9.737 -10.799
  419   1HA   GLY  57          2HA       GLY  57   5.714  11.485 -11.383
  420   2HA   GLY  57          1HA       GLY  57   5.193  12.355  -9.943
  421    H    VAL  58           H        VAL  58   5.199  10.402  -8.025
  422    HA   VAL  58           HA       VAL  58   7.914  10.261  -7.309
  423    HB   VAL  58           HB       VAL  58   6.048  10.215  -5.688
  424   1HG1  VAL  58          2HG1      VAL  58   5.621   7.434  -6.812
  425   2HG1  VAL  58          1HG1      VAL  58   4.918   7.999  -5.297
  426   3HG1  VAL  58          3HG1      VAL  58   4.469   8.770  -6.818
  427   1HG2  VAL  58          1HG2      VAL  58   8.418   9.216  -5.314
  428   2HG2  VAL  58          3HG2      VAL  58   7.153   8.857  -4.140
  429   3HG2  VAL  58          2HG2      VAL  58   7.591   7.658  -5.359
  430    H    SER  59           H        SER  59   9.191   8.339  -6.924
  431    HA   SER  59           HA       SER  59   8.590   5.839  -8.154
  432   1HB   SER  59          2HB       SER  59  10.167   5.904 -10.008
  433   2HB   SER  59          1HB       SER  59   8.982   7.192 -10.204
  434    HG   SER  59           HG       SER  59  11.206   7.843 -10.507
  435    H    ILE  60           H        ILE  60   9.400   6.417  -5.645
  436    HA   ILE  60           HA       ILE  60  12.269   6.205  -5.384
  437    HB   ILE  60           HB       ILE  60  10.199   5.814  -3.215
  438   1HG1  ILE  60          2HG1      ILE  60  11.642   8.367  -3.974
  439   2HG1  ILE  60          1HG1      ILE  60   9.999   8.000  -4.497
  440   1HG2  ILE  60          3HG2      ILE  60  13.135   6.560  -3.216
  441   2HG2  ILE  60          2HG2      ILE  60  12.099   6.585  -1.789
  442   3HG2  ILE  60          1HG2      ILE  60  12.432   5.061  -2.609
  443   1HD1  ILE  60          3HD1      ILE  60   9.509   7.592  -1.986
  444   2HD1  ILE  60          2HD1      ILE  60  11.017   8.460  -1.697
  445   3HD1  ILE  60          1HD1      ILE  60   9.683   9.261  -2.527
  446    HA   PRO  61           HA       PRO  61  11.272   1.719  -4.115
  447   1HB   PRO  61          2HB       PRO  61   8.813   0.683  -4.698
  448   2HB   PRO  61          1HB       PRO  61   9.204   1.495  -3.175
  449   1HG   PRO  61          2HG       PRO  61   7.600   2.467  -5.468
  450   2HG   PRO  61          1HG       PRO  61   7.504   2.907  -3.757
  451   1HD   PRO  61          2HD       PRO  61   8.732   4.423  -5.808
  452   2HD   PRO  61          1HD       PRO  61   8.875   4.701  -4.059
  453    H    ASP  62           H        ASP  62  12.693   1.227  -5.794
  454    HA   ASP  62           HA       ASP  62  11.549   0.595  -8.433
  455   1HB   ASP  62          2HB       ASP  62  14.412   0.949  -7.516
  456   2HB   ASP  62          1HB       ASP  62  13.948   0.462  -9.147
  457    H    ASP  63           H        ASP  63  14.136  -0.781  -6.402
  458    HA   ASP  63           HA       ASP  63  13.695  -3.424  -7.475
  459   1HB   ASP  63          2HB       ASP  63  15.444  -4.094  -5.820
  460   2HB   ASP  63          1HB       ASP  63  15.956  -2.788  -6.889
  461    H    VAL  64           H        VAL  64  12.850  -1.669  -4.558
  462    HA   VAL  64           HA       VAL  64  12.077  -3.851  -2.949
  463    HB   VAL  64           HB       VAL  64  12.379  -1.556  -2.083
  464   1HG1  VAL  64          1HG1      VAL  64  11.289  -0.425  -4.049
  465   2HG1  VAL  64          3HG1      VAL  64   9.727  -0.940  -3.410
  466   3HG1  VAL  64          2HG1      VAL  64  10.738   0.169  -2.483
  467   1HG2  VAL  64          1HG2      VAL  64  10.750  -3.388  -1.096
  468   2HG2  VAL  64          3HG2      VAL  64  10.762  -1.759  -0.419
  469   3HG2  VAL  64          2HG2      VAL  64   9.502  -2.230  -1.559
  470    H    ALA  65           H        ALA  65  10.267  -1.890  -5.275
  471    HA   ALA  65           HA       ALA  65   7.795  -3.311  -4.850
  472   1HB   ALA  65          1HB       ALA  65   8.736  -1.179  -6.727
  473   2HB   ALA  65          3HB       ALA  65   7.269  -2.075  -7.119
  474   3HB   ALA  65          2HB       ALA  65   7.370  -1.166  -5.611
  475    H    GLY  66           H        GLY  66  10.517  -3.530  -7.040
  476   1HA   GLY  66          2HA       GLY  66   9.396  -5.108  -9.073
  477   2HA   GLY  66          1HA       GLY  66  11.099  -5.096  -8.625
  478    H    ARG  67           H        ARG  67  10.828  -6.011  -5.963
  479    HA   ARG  67           HA       ARG  67  10.113  -8.826  -6.482
  480   1HB   ARG  67          2HB       ARG  67  11.926  -7.626  -4.372
  481   2HB   ARG  67          1HB       ARG  67  11.593  -9.347  -4.570
  482   1HG   ARG  67          2HG       ARG  67  12.634  -7.701  -6.871
  483   2HG   ARG  67          1HG       ARG  67  13.736  -8.391  -5.679
  484   1HD   ARG  67          2HD       ARG  67  11.656 -10.169  -6.884
  485   2HD   ARG  67          1HD       ARG  67  13.059  -9.750  -7.860
  486    HE   ARG  67           HE       ARG  67  14.288 -10.572  -5.661
  487   1HH1  ARG  67          1HH2      ARG  67  12.886 -12.197  -4.134
  488   2HH1  ARG  67          2HH2      ARG  67  12.554 -13.673  -4.977
  489   1HH2  ARG  67          2HH1      ARG  67  13.254 -12.350  -8.106
  490   2HH2  ARG  67          1HH1      ARG  67  12.762 -13.759  -7.227
  491    H    VAL  68           H        VAL  68   7.978  -7.173  -5.992
  492    HA   VAL  68           HA       VAL  68   7.302  -7.140  -3.191
  493    HB   VAL  68           HB       VAL  68   6.394  -5.460  -4.762
  494   1HG1  VAL  68          2HG1      VAL  68   6.081  -7.390  -6.566
  495   2HG1  VAL  68          1HG1      VAL  68   4.472  -7.480  -5.851
  496   3HG1  VAL  68          3HG1      VAL  68   5.037  -5.970  -6.562
  497   1HG2  VAL  68          1HG2      VAL  68   5.113  -6.643  -2.668
  498   2HG2  VAL  68          3HG2      VAL  68   4.464  -5.265  -3.558
  499   3HG2  VAL  68          2HG2      VAL  68   3.932  -6.901  -3.952
  500    H    ASP  69           H        ASP  69   6.871  -8.928  -2.107
  501    HA   ASP  69           HA       ASP  69   5.671 -11.225  -3.497
  502   1HB   ASP  69          2HB       ASP  69   7.288 -10.883  -1.013
  503   2HB   ASP  69          1HB       ASP  69   6.157 -12.234  -1.087
  504    H    THR  70           H        THR  70   4.782  -8.647  -1.422
  505    HA   THR  70           HA       THR  70   2.290 -10.074  -0.709
  506    HB   THR  70           HB       THR  70   2.303  -8.158   1.141
  507    HG1  THR  70           HG1      THR  70   5.048  -8.719   0.719
  508   1HG2  THR  70          1HG2      THR  70   2.537 -10.824   1.183
  509   2HG2  THR  70          3HG2      THR  70   4.162 -10.412   1.728
  510   3HG2  THR  70          2HG2      THR  70   2.759  -9.848   2.635
  511    HA   PRO  71           HA       PRO  71   0.239  -6.772  -2.828
  512   1HB   PRO  71          2HB       PRO  71  -2.195  -6.819  -1.613
  513   2HB   PRO  71          1HB       PRO  71  -1.647  -8.069  -2.739
  514   1HG   PRO  71          2HG       PRO  71  -1.908  -8.186   0.214
  515   2HG   PRO  71          1HG       PRO  71  -2.005  -9.486  -0.975
  516   1HD   PRO  71          2HD       PRO  71   0.220  -8.881   0.665
  517   2HD   PRO  71          1HD       PRO  71   0.209  -9.987  -0.727
  518    H    ARG  72           H        ARG  72  -0.703  -6.656   0.621
  519    HA   ARG  72           HA       ARG  72  -1.244  -3.941   0.842
  520   1HB   ARG  72          2HB       ARG  72  -1.473  -5.889   2.577
  521   2HB   ARG  72          1HB       ARG  72   0.136  -5.375   3.083
  522   1HG   ARG  72          2HG       ARG  72  -0.599  -3.263   3.757
  523   2HG   ARG  72          1HG       ARG  72  -2.026  -3.320   2.720
  524   1HD   ARG  72          2HD       ARG  72  -2.530  -3.608   5.169
  525   2HD   ARG  72          1HD       ARG  72  -3.096  -4.931   4.156
  526    HE   ARG  72           HE       ARG  72  -0.477  -5.229   5.453
  527   1HH1  ARG  72          1HH2      ARG  72  -1.902  -7.574   4.290
  528   2HH1  ARG  72          2HH2      ARG  72  -2.632  -8.310   5.677
  529   1HH2  ARG  72          2HH1      ARG  72  -2.261  -5.508   7.687
  530   2HH2  ARG  72          1HH1      ARG  72  -2.835  -7.141   7.602
  531    H    GLU  73           H        GLU  73   1.839  -5.542   0.599
  532    HA   GLU  73           HA       GLU  73   3.433  -3.450   1.711
  533   1HB   GLU  73          2HB       GLU  73   4.199  -5.818   1.440
  534   2HB   GLU  73          1HB       GLU  73   4.258  -5.554  -0.302
  535   1HG   GLU  73          2HG       GLU  73   6.155  -4.298  -0.182
  536   2HG   GLU  73          1HG       GLU  73   5.655  -3.506   1.312
  537    H    LEU  74           H        LEU  74   2.511  -4.357  -1.596
  538    HA   LEU  74           HA       LEU  74   4.010  -2.426  -2.973
  539   1HB   LEU  74          2HB       LEU  74   2.098  -4.393  -3.635
  540   2HB   LEU  74          1HB       LEU  74   1.456  -2.879  -4.268
  541    HG   LEU  74           HG       LEU  74   4.349  -3.570  -4.711
  542   1HD1  LEU  74          3HD1      LEU  74   1.965  -4.595  -6.280
  543   2HD1  LEU  74          2HD1      LEU  74   3.619  -4.600  -6.895
  544   3HD1  LEU  74          1HD1      LEU  74   3.204  -5.560  -5.475
  545   1HD2  LEU  74          3HD2      LEU  74   2.247  -1.802  -5.926
  546   2HD2  LEU  74          2HD2      LEU  74   3.904  -1.409  -5.467
  547   3HD2  LEU  74          1HD2      LEU  74   3.592  -2.346  -6.927
  548    H    LEU  75           H        LEU  75   0.696  -2.270  -1.695
  549    HA   LEU  75           HA       LEU  75   0.072   0.306  -2.657
  550   1HB   LEU  75          2HB       LEU  75  -1.628  -1.257  -1.780
  551   2HB   LEU  75          1HB       LEU  75  -0.951  -1.084  -0.163
  552    HG   LEU  75           HG       LEU  75  -1.366   1.490  -0.578
  553   1HD1  LEU  75          2HD1      LEU  75  -3.319   0.171  -2.486
  554   2HD1  LEU  75          1HD1      LEU  75  -3.384   1.858  -1.976
  555   3HD1  LEU  75          3HD1      LEU  75  -2.018   1.278  -2.929
  556   1HD2  LEU  75          3HD2      LEU  75  -2.492  -0.097   1.068
  557   2HD2  LEU  75          2HD2      LEU  75  -3.466   1.279   0.550
  558   3HD2  LEU  75          1HD2      LEU  75  -3.753  -0.317  -0.144
  559    H    ASP  76           H        ASP  76   1.204  -0.679   0.587
  560    HA   ASP  76           HA       ASP  76   1.467   1.937   1.598
  561   1HB   ASP  76          2HB       ASP  76   1.576  -0.336   2.850
  562   2HB   ASP  76          1HB       ASP  76   3.293  -0.295   2.447
  563    H    LEU  77           H        LEU  77   3.388   0.209  -0.680
  564    HA   LEU  77           HA       LEU  77   5.874   1.536  -0.222
  565   1HB   LEU  77          2HB       LEU  77   4.797  -0.444  -2.054
  566   2HB   LEU  77          1HB       LEU  77   5.805   0.718  -2.909
  567    HG   LEU  77           HG       LEU  77   7.153  -1.149  -2.129
  568   1HD1  LEU  77          3HD1      LEU  77   7.766   1.490  -1.792
  569   2HD1  LEU  77          2HD1      LEU  77   8.027   0.875  -0.160
  570   3HD1  LEU  77          1HD1      LEU  77   8.905   0.171  -1.518
  571   1HD2  LEU  77          3HD2      LEU  77   5.754  -0.551   0.443
  572   2HD2  LEU  77          2HD2      LEU  77   6.176  -2.108  -0.269
  573   3HD2  LEU  77          1HD2      LEU  77   7.415  -1.139   0.528
  574    H    ILE  78           H        ILE  78   3.917   1.698  -3.175
  575    HA   ILE  78           HA       ILE  78   4.973   4.121  -4.113
  576    HB   ILE  78           HB       ILE  78   2.219   2.969  -4.650
  577   1HG1  ILE  78          2HG1      ILE  78   4.801   2.661  -6.214
  578   2HG1  ILE  78          1HG1      ILE  78   4.170   1.440  -5.110
  579   1HG2  ILE  78          1HG2      ILE  78   3.912   4.933  -6.227
  580   2HG2  ILE  78          3HG2      ILE  78   2.374   4.253  -6.758
  581   3HG2  ILE  78          2HG2      ILE  78   2.429   5.322  -5.357
  582   1HD1  ILE  78          1HD1      ILE  78   1.965   1.737  -6.537
  583   2HD1  ILE  78          3HD1      ILE  78   3.088   2.339  -7.756
  584   3HD1  ILE  78          2HD1      ILE  78   3.270   0.704  -7.121
  585    H    ASN  79           H        ASN  79   2.224   3.503  -2.039
  586    HA   ASN  79           HA       ASN  79   1.133   6.109  -1.997
  587   1HB   ASN  79          2HB       ASN  79   0.099   3.893  -1.168
  588   2HB   ASN  79          1HB       ASN  79   0.991   4.193   0.323
  589   1HD2  ASN  79          2HD2      ASN  79  -2.432   5.774   0.508
  590   2HD2  ASN  79          1HD2      ASN  79  -1.908   4.200   0.144
  591    H    GLY  80           H        GLY  80   3.479   4.476   0.105
  592   1HA   GLY  80          2HA       GLY  80   3.763   6.646   1.937
  593   2HA   GLY  80          1HA       GLY  80   4.859   5.279   1.773
  594    H    ALA  81           H        ALA  81   5.122   5.964  -1.188
  595    HA   ALA  81           HA       ALA  81   7.452   7.613  -0.911
  596   1HB   ALA  81          2HB       ALA  81   6.958   5.706  -2.629
  597   2HB   ALA  81          1HB       ALA  81   6.187   6.991  -3.558
  598   3HB   ALA  81          3HB       ALA  81   7.896   7.109  -3.139
  599    H    LEU  82           H        LEU  82   4.549   8.032  -2.950
  600    HA   LEU  82           HA       LEU  82   5.026  10.741  -3.541
  601   1HB   LEU  82          2HB       LEU  82   2.629  10.814  -4.204
  602   2HB   LEU  82          1HB       LEU  82   3.489   9.434  -4.889
  603    HG   LEU  82           HG       LEU  82   2.626   8.335  -2.564
  604   1HD1  LEU  82          3HD1      LEU  82   0.813  10.625  -3.234
  605   2HD1  LEU  82          2HD1      LEU  82   0.100   9.134  -2.621
  606   3HD1  LEU  82          1HD1      LEU  82   1.292  10.003  -1.655
  607   1HD2  LEU  82          1HD2      LEU  82   2.200   7.923  -5.219
  608   2HD2  LEU  82          3HD2      LEU  82   1.372   7.013  -3.955
  609   3HD2  LEU  82          2HD2      LEU  82   0.575   8.390  -4.714
  610    H    ALA  83           H        ALA  83   3.529   9.206  -0.786
  611    HA   ALA  83           HA       ALA  83   2.099  11.428   0.226
  612   1HB   ALA  83          2HB       ALA  83   3.188   8.906   1.422
  613   2HB   ALA  83          1HB       ALA  83   2.587  10.176   2.487
  614   3HB   ALA  83          3HB       ALA  83   1.516   9.448   1.288
  615    H    GLU  84           H        GLU  84   5.454  10.415   0.501
  616    HA   GLU  84           HA       GLU  84   6.252  12.144   2.581
  617   1HB   GLU  84          2HB       GLU  84   7.696  10.775   0.335
  618   2HB   GLU  84          1HB       GLU  84   8.544  11.953   1.340
  619   1HG   GLU  84          2HG       GLU  84   7.395  10.539   3.298
  620   2HG   GLU  84          1HG       GLU  84   7.452   9.273   2.071
  621    H    ALA  85           H        ALA  85   5.691  12.688  -0.826
  622    HA   ALA  85           HA       ALA  85   7.143  15.059  -1.206
  623   1HB   ALA  85          3HB       ALA  85   6.090  13.835  -3.060
  624   2HB   ALA  85          2HB       ALA  85   4.494  14.265  -2.442
  625   3HB   ALA  85          1HB       ALA  85   5.574  15.522  -3.046
  626    H    ALA  86           HN       ALA  86   3.731  14.631  -0.258
  627    HA   ALA  86           HA       ALA  86   3.863  17.104   1.292
  628   1HB   ALA  86          3HB       ALA  86   2.125  16.739  -1.137
  629   2HB   ALA  86          2HB       ALA  86   1.621  17.793   0.185
  630   3HB   ALA  86          1HB       ALA  86   3.118  18.125  -0.686
   
  No H/Q in entry =         630
  Start of MODEL    6
    1   1H    MET   1          2H        MET   1 -10.904  13.123  -1.289
    2   2H    MET   1          1H        MET   1 -10.885  14.811  -1.470
    3   3H    MET   1          3H        MET   1 -10.892  13.813  -2.842
    4    HA   MET   1           HA       MET   1  -8.684  14.692  -2.487
    5   1HB   MET   1          2HB       MET   1  -9.288  14.627   0.144
    6   2HB   MET   1          1HB       MET   1  -8.370  13.125   0.022
    7   1HG   MET   1          2HG       MET   1  -6.431  14.239  -0.759
    8   2HG   MET   1          1HG       MET   1  -7.331  15.702  -1.158
    9   1HE   MET   1          3HE       MET   1  -8.692  16.931   0.410
   10   2HE   MET   1          2HE       MET   1  -8.096  17.470   1.978
   11   3HE   MET   1          1HE       MET   1  -7.171  17.827   0.521
   12    H    ALA   2           H        ALA   2  -7.992  13.426  -4.111
   13    HA   ALA   2           HA       ALA   2  -7.681  10.532  -3.566
   14   1HB   ALA   2          3HB       ALA   2  -9.326  11.361  -5.431
   15   2HB   ALA   2          2HB       ALA   2  -7.847  11.634  -6.352
   16   3HB   ALA   2          1HB       ALA   2  -8.236  10.016  -5.768
   17    H    THR   3           H        THR   3  -5.755  12.483  -2.833
   18    HA   THR   3           HA       THR   3  -3.689  12.538  -4.849
   19    HB   THR   3           HB       THR   3  -3.061  13.103  -1.995
   20    HG1  THR   3           HG1      THR   3  -4.206  14.960  -2.014
   21   1HG2  THR   3          3HG2      THR   3  -2.281  14.035  -4.719
   22   2HG2  THR   3          2HG2      THR   3  -2.164  15.195  -3.396
   23   3HG2  THR   3          1HG2      THR   3  -1.267  13.679  -3.321
   24    H    LEU   4           H        LEU   4  -4.553  10.560  -2.145
   25    HA   LEU   4           HA       LEU   4  -2.062   9.000  -2.439
   26   1HB   LEU   4          2HB       LEU   4  -4.024   9.305  -0.172
   27   2HB   LEU   4          1HB       LEU   4  -2.928   7.926  -0.251
   28    HG   LEU   4           HG       LEU   4  -1.127   9.836  -0.698
   29   1HD1  LEU   4          1HD1      LEU   4  -2.929  11.602  -0.665
   30   2HD1  LEU   4          3HD1      LEU   4  -3.175  11.238   1.042
   31   3HD1  LEU   4          2HD1      LEU   4  -1.628  11.882   0.492
   32   1HD2  LEU   4          1HD2      LEU   4  -1.493   8.148   1.280
   33   2HD2  LEU   4          3HD2      LEU   4  -0.457   9.553   1.531
   34   3HD2  LEU   4          2HD2      LEU   4  -2.115   9.562   2.131
   35    H    LEU   5           H        LEU   5  -2.266   6.644  -2.368
   36    HA   LEU   5           HA       LEU   5  -4.596   5.779  -3.915
   37   1HB   LEU   5          2HB       LEU   5  -1.917   4.535  -3.323
   38   2HB   LEU   5          1HB       LEU   5  -3.239   3.576  -3.979
   39    HG   LEU   5           HG       LEU   5  -2.009   6.045  -5.245
   40   1HD1  LEU   5          3HD1      LEU   5  -0.748   3.844  -5.335
   41   2HD1  LEU   5          2HD1      LEU   5  -2.113   3.188  -6.239
   42   3HD1  LEU   5          1HD1      LEU   5  -1.173   4.523  -6.906
   43   1HD2  LEU   5          3HD2      LEU   5  -4.535   4.555  -5.752
   44   2HD2  LEU   5          2HD2      LEU   5  -4.135   6.234  -6.101
   45   3HD2  LEU   5          1HD2      LEU   5  -3.573   4.955  -7.177
   46    H    THR   6           H        THR   6  -5.550   3.657  -3.426
   47    HA   THR   6           HA       THR   6  -5.614   3.085  -0.529
   48    HB   THR   6           HB       THR   6  -8.135   2.744  -2.066
   49    HG1  THR   6           HG1      THR   6  -8.362   4.777  -2.463
   50   1HG2  THR   6          3HG2      THR   6  -7.214   3.268   0.714
   51   2HG2  THR   6          2HG2      THR   6  -8.781   3.934   0.257
   52   3HG2  THR   6          1HG2      THR   6  -8.491   2.199   0.134
   53    H    THR   7           H        THR   7  -6.925   0.966  -0.201
   54    HA   THR   7           HA       THR   7  -5.502  -1.166  -1.331
   55    HB   THR   7           HB       THR   7  -8.278  -1.241  -0.119
   56    HG1  THR   7           HG1      THR   7  -7.013  -1.761   1.781
   57   1HG2  THR   7          1HG2      THR   7  -6.459  -3.281  -1.132
   58   2HG2  THR   7          3HG2      THR   7  -6.848  -3.531   0.569
   59   3HG2  THR   7          2HG2      THR   7  -8.141  -3.430  -0.625
   60    H    ASP   8           H        ASP   8  -8.577   0.300  -2.211
   61    HA   ASP   8           HA       ASP   8  -9.452  -1.562  -4.120
   62   1HB   ASP   8          2HB       ASP   8  -9.880   1.414  -3.853
   63   2HB   ASP   8          1HB       ASP   8 -10.623   0.471  -5.146
   64    H    ASP   9           H        ASP   9  -7.177   1.118  -4.351
   65    HA   ASP   9           HA       ASP   9  -6.896   1.118  -7.176
   66   1HB   ASP   9          2HB       ASP   9  -6.100   2.965  -5.663
   67   2HB   ASP   9          1HB       ASP   9  -4.786   1.907  -5.155
   68    H    LEU  10           H        LEU  10  -5.088  -0.507  -4.575
   69    HA   LEU  10           HA       LEU  10  -3.115  -1.659  -6.209
   70   1HB   LEU  10          2HB       LEU  10  -2.368  -2.674  -4.310
   71   2HB   LEU  10          1HB       LEU  10  -3.502  -1.582  -3.531
   72    HG   LEU  10           HG       LEU  10  -5.209  -3.573  -3.921
   73   1HD1  LEU  10          3HD1      LEU  10  -2.513  -4.740  -4.415
   74   2HD1  LEU  10          2HD1      LEU  10  -3.623  -5.691  -3.426
   75   3HD1  LEU  10          1HD1      LEU  10  -4.081  -5.220  -5.063
   76   1HD2  LEU  10          3HD2      LEU  10  -4.198  -2.620  -1.735
   77   2HD2  LEU  10          2HD2      LEU  10  -4.822  -4.270  -1.692
   78   3HD2  LEU  10          1HD2      LEU  10  -3.085  -3.986  -1.816
   79    H    ARG  11           H        ARG  11  -6.395  -2.656  -5.520
   80    HA   ARG  11           HA       ARG  11  -6.199  -5.297  -6.566
   81   1HB   ARG  11          2HB       ARG  11  -8.082  -4.025  -5.131
   82   2HB   ARG  11          1HB       ARG  11  -8.802  -3.880  -6.732
   83   1HG   ARG  11          2HG       ARG  11  -7.721  -6.560  -6.242
   84   2HG   ARG  11          1HG       ARG  11  -8.956  -6.112  -5.068
   85   1HD   ARG  11          2HD       ARG  11  -9.542  -5.468  -7.908
   86   2HD   ARG  11          1HD       ARG  11  -9.546  -7.174  -7.477
   87    HE   ARG  11           HE       ARG  11 -11.321  -6.703  -5.898
   88   1HH1  ARG  11          2HH1      ARG  11 -10.605  -3.694  -5.685
   89   2HH1  ARG  11          1HH1      ARG  11 -11.975  -2.982  -6.473
   90   1HH2  ARG  11          1HH2      ARG  11 -13.022  -5.956  -7.919
   91   2HH2  ARG  11          2HH2      ARG  11 -13.342  -4.263  -7.737
   92    H    ARG  12           H        ARG  12  -7.648  -2.347  -7.961
   93    HA   ARG  12           HA       ARG  12  -8.281  -3.406 -10.465
   94   1HB   ARG  12          2HB       ARG  12  -8.189  -1.031 -11.268
   95   2HB   ARG  12          1HB       ARG  12  -9.169  -1.267  -9.820
   96   1HG   ARG  12          2HG       ARG  12  -7.508  -0.342  -8.408
   97   2HG   ARG  12          1HG       ARG  12  -6.256  -0.495  -9.641
   98   1HD   ARG  12          2HD       ARG  12  -6.828   1.805  -9.652
   99   2HD   ARG  12          1HD       ARG  12  -7.662   1.125 -11.044
  100    HE   ARG  12           HE       ARG  12  -9.478   0.964  -8.969
  101   1HH1  ARG  12          1HH2      ARG  12  -8.811   2.983 -11.487
  102   2HH1  ARG  12          2HH2      ARG  12  -9.437   4.434 -10.777
  103   1HH2  ARG  12          2HH1      ARG  12  -9.780   3.051  -7.614
  104   2HH2  ARG  12          1HH1      ARG  12  -9.986   4.472  -8.584
  105    H    ALA  13           H        ALA  13  -5.223  -2.254  -9.221
  106    HA   ALA  13           HA       ALA  13  -3.926  -2.021 -11.768
  107   1HB   ALA  13          1HB       ALA  13  -2.822  -2.273  -8.963
  108   2HB   ALA  13          3HB       ALA  13  -1.828  -1.998 -10.394
  109   3HB   ALA  13          2HB       ALA  13  -3.018  -0.793  -9.902
  110    H    LEU  14           H        LEU  14  -4.012  -4.497  -9.234
  111    HA   LEU  14           HA       LEU  14  -2.240  -6.299 -10.566
  112   1HB   LEU  14          2HB       LEU  14  -4.112  -6.489  -8.237
  113   2HB   LEU  14          1HB       LEU  14  -3.441  -7.964  -8.930
  114    HG   LEU  14           HG       LEU  14  -1.508  -5.759  -8.467
  115   1HD1  LEU  14          1HD1      LEU  14  -3.310  -6.511  -6.379
  116   2HD1  LEU  14          3HD1      LEU  14  -1.736  -7.211  -5.998
  117   3HD1  LEU  14          2HD1      LEU  14  -1.889  -5.475  -6.267
  118   1HD2  LEU  14          2HD2      LEU  14  -1.566  -8.759  -8.021
  119   2HD2  LEU  14          1HD2      LEU  14  -0.724  -7.888  -9.304
  120   3HD2  LEU  14          3HD2      LEU  14  -0.177  -7.744  -7.633
  121    H    VAL  15           H        VAL  15  -5.577  -5.548 -10.984
  122    HA   VAL  15           HA       VAL  15  -6.217  -8.116 -12.211
  123    HB   VAL  15           HB       VAL  15  -7.920  -5.620 -12.016
  124   1HG1  VAL  15          3HG1      VAL  15  -8.533  -8.528 -12.622
  125   2HG1  VAL  15          2HG1      VAL  15  -9.765  -7.307 -12.301
  126   3HG1  VAL  15          1HG1      VAL  15  -8.720  -7.156 -13.714
  127   1HG2  VAL  15          3HG2      VAL  15  -6.999  -7.056  -9.874
  128   2HG2  VAL  15          2HG2      VAL  15  -8.551  -6.223  -9.905
  129   3HG2  VAL  15          1HG2      VAL  15  -8.469  -7.946 -10.265
  130    H    GLU  16           H        GLU  16  -5.390  -4.839 -13.119
  131    HA   GLU  16           HA       GLU  16  -6.283  -4.812 -15.777
  132   1HB   GLU  16          2HB       GLU  16  -4.167  -3.367 -14.252
  133   2HB   GLU  16          1HB       GLU  16  -4.111  -3.288 -16.014
  134   1HG   GLU  16          2HG       GLU  16  -6.710  -2.798 -15.725
  135   2HG   GLU  16          1HG       GLU  16  -6.188  -2.240 -14.135
  136    H    CYS  17           H        CYS  17  -3.501  -6.342 -14.309
  137    HA   CYS  17           HA       CYS  17  -1.950  -6.776 -16.623
  138   1HB   CYS  17          2HB       CYS  17  -2.169  -8.239 -13.999
  139   2HB   CYS  17          1HB       CYS  17  -1.094  -8.799 -15.281
  140    HG   CYS  17           HG       CYS  17  -0.223  -6.785 -13.432
  141    H    ALA  18           H        ALA  18  -4.499  -8.721 -15.102
  142    HA   ALA  18           HA       ALA  18  -4.333 -10.774 -17.144
  143   1HB   ALA  18          2HB       ALA  18  -6.055 -10.322 -14.726
  144   2HB   ALA  18          1HB       ALA  18  -6.529 -11.512 -15.939
  145   3HB   ALA  18          3HB       ALA  18  -4.989 -11.677 -15.096
  146    H    GLY  19           H        GLY  19  -7.185  -8.963 -16.015
  147   1HA   GLY  19          2HA       GLY  19  -7.797  -8.095 -18.733
  148   2HA   GLY  19          1HA       GLY  19  -8.922  -9.251 -18.026
  149    H    GLU  20           H        GLU  20 -10.671  -8.289 -17.247
  150    HA   GLU  20           HA       GLU  20 -10.338  -5.752 -15.766
  151   1HB   GLU  20          2HB       GLU  20 -12.616  -5.098 -16.642
  152   2HB   GLU  20          1HB       GLU  20 -11.330  -5.107 -17.848
  153   1HG   GLU  20          2HG       GLU  20 -12.051  -7.478 -18.427
  154   2HG   GLU  20          1HG       GLU  20 -13.471  -7.203 -17.416
  155    H    THR  21           H        THR  21 -12.432  -8.551 -16.362
  156    HA   THR  21           HA       THR  21 -14.033  -9.589 -15.091
  157    HB   THR  21           HB       THR  21 -12.152 -10.675 -14.148
  158    HG1  THR  21           HG1      THR  21 -13.401 -11.332 -12.626
  159   1HG2  THR  21          1HG2      THR  21 -11.806  -8.194 -12.452
  160   2HG2  THR  21          3HG2      THR  21 -10.922  -9.696 -12.207
  161   3HG2  THR  21          2HG2      THR  21 -10.708  -8.782 -13.698
  162    H    ASP  22           H        ASP  22 -15.866  -8.650 -14.690
  163    HA   ASP  22           HA       ASP  22 -16.023  -6.420 -12.782
  164   1HB   ASP  22          2HB       ASP  22 -18.379  -6.225 -13.603
  165   2HB   ASP  22          1HB       ASP  22 -17.173  -6.032 -14.876
  166    H    GLY  23           H        GLY  23 -15.524  -9.165 -11.888
  167   1HA   GLY  23          2HA       GLY  23 -17.557  -9.295  -9.838
  168   2HA   GLY  23          1HA       GLY  23 -17.589 -10.660 -10.953
  169    H    THR  24           H        THR  24 -16.198  -9.411  -8.152
  170    HA   THR  24           HA       THR  24 -13.950 -11.305  -8.278
  171    HB   THR  24           HB       THR  24 -14.024  -9.272  -6.120
  172    HG1  THR  24           HG1      THR  24 -13.575  -8.587  -8.835
  173   1HG2  THR  24          3HG2      THR  24 -12.172 -11.003  -6.990
  174   2HG2  THR  24          2HG2      THR  24 -11.757  -9.633  -8.019
  175   3HG2  THR  24          1HG2      THR  24 -11.736  -9.455  -6.265
  176    H    ASP  25           H        ASP  25 -13.504 -11.327  -5.497
  177    HA   ASP  25           HA       ASP  25 -15.948 -12.269  -4.221
  178   1HB   ASP  25          2HB       ASP  25 -14.863 -14.446  -3.601
  179   2HB   ASP  25          1HB       ASP  25 -15.238 -14.302  -5.319
  180    H    LEU  26           H        LEU  26 -15.440 -10.402  -2.924
  181    HA   LEU  26           HA       LEU  26 -13.021 -10.549  -1.285
  182   1HB   LEU  26          2HB       LEU  26 -15.182  -8.468  -1.625
  183   2HB   LEU  26          1HB       LEU  26 -13.999  -8.370  -0.325
  184    HG   LEU  26           HG       LEU  26 -13.260  -7.045  -2.259
  185   1HD1  LEU  26          2HD1      LEU  26 -11.669  -8.550  -0.813
  186   2HD1  LEU  26          1HD1      LEU  26 -11.506  -9.484  -2.299
  187   3HD1  LEU  26          3HD1      LEU  26 -11.046  -7.782  -2.274
  188   1HD2  LEU  26          2HD2      LEU  26 -14.488  -8.870  -3.812
  189   2HD2  LEU  26          1HD2      LEU  26 -13.205  -7.823  -4.419
  190   3HD2  LEU  26          3HD2      LEU  26 -12.835  -9.476  -3.927
  191    H    SER  27           H        SER  27 -14.534 -12.706  -0.737
  192    HA   SER  27           HA       SER  27 -16.060 -12.057   1.702
  193   1HB   SER  27          2HB       SER  27 -15.930 -14.784   0.445
  194   2HB   SER  27          1HB       SER  27 -17.185 -14.098   1.473
  195    HG   SER  27           HG       SER  27 -17.549 -12.583  -0.286
  196    H    GLY  28           H        GLY  28 -13.105 -12.056   1.492
  197   1HA   GLY  28          2HA       GLY  28 -12.437 -13.224   3.932
  198   2HA   GLY  28          1HA       GLY  28 -12.028 -14.397   2.684
  199    H    ASP  29           H        ASP  29 -11.870 -10.865   2.473
  200    HA   ASP  29           HA       ASP  29 -10.136  -9.435   2.000
  201   1HB   ASP  29          2HB       ASP  29  -9.386 -10.690   4.237
  202   2HB   ASP  29          1HB       ASP  29  -8.120 -11.290   3.166
  203    H    PHE  30           H        PHE  30  -7.923  -9.313   0.921
  204    HA   PHE  30           HA       PHE  30  -7.312 -11.565  -0.832
  205   1HB   PHE  30          2HB       PHE  30  -7.551 -10.340  -2.890
  206   2HB   PHE  30          1HB       PHE  30  -9.073 -10.232  -2.017
  207    HD1  PHE  30           HD2      PHE  30  -9.032  -8.109  -0.223
  208    HD2  PHE  30           HD1      PHE  30  -6.868  -8.384  -3.924
  209    HE1  PHE  30           HE2      PHE  30  -8.905  -5.638  -0.336
  210    HE2  PHE  30           HE1      PHE  30  -6.743  -5.913  -4.034
  211    HZ   PHE  30           HZ       PHE  30  -7.763  -4.541  -2.244
  212    H    LEU  31           H        LEU  31  -5.984 -10.194   1.343
  213    HA   LEU  31           HA       LEU  31  -3.562  -9.346  -0.103
  214   1HB   LEU  31          2HB       LEU  31  -4.631  -8.011   2.395
  215   2HB   LEU  31          1HB       LEU  31  -3.165  -7.572   1.514
  216    HG   LEU  31           HG       LEU  31  -5.869  -7.613   0.171
  217   1HD1  LEU  31          2HD1      LEU  31  -5.424  -6.001   2.292
  218   2HD1  LEU  31          1HD1      LEU  31  -4.703  -5.019   1.017
  219   3HD1  LEU  31          3HD1      LEU  31  -6.392  -5.514   0.901
  220   1HD2  LEU  31          3HD2      LEU  31  -3.691  -7.603  -1.142
  221   2HD2  LEU  31          2HD2      LEU  31  -4.774  -6.252  -1.480
  222   3HD2  LEU  31          1HD2      LEU  31  -3.369  -6.016  -0.441
  223    H    ASP  32           H        ASP  32  -3.187 -11.681   0.352
  224    HA   ASP  32           HA       ASP  32  -1.521 -11.935   2.702
  225   1HB   ASP  32          2HB       ASP  32  -4.151 -13.332   2.481
  226   2HB   ASP  32          1HB       ASP  32  -2.785 -14.237   3.133
  227    H    LEU  33           H        LEU  33   0.047 -12.131   1.049
  228    HA   LEU  33           HA       LEU  33   1.513 -13.374  -0.221
  229   1HB   LEU  33          2HB       LEU  33   0.616 -15.255   1.437
  230   2HB   LEU  33          1HB       LEU  33  -0.146 -15.852  -0.036
  231    HG   LEU  33           HG       LEU  33   2.195 -15.539  -1.116
  232   1HD1  LEU  33          2HD1      LEU  33   2.899 -14.318   1.119
  233   2HD1  LEU  33          1HD1      LEU  33   3.189 -15.963   1.685
  234   3HD1  LEU  33          3HD1      LEU  33   4.054 -15.350   0.276
  235   1HD2  LEU  33          1HD2      LEU  33   1.126 -17.727  -0.636
  236   2HD2  LEU  33          3HD2      LEU  33   2.867 -17.786  -0.364
  237   3HD2  LEU  33          2HD2      LEU  33   1.764 -17.667   1.007
  238    H    ARG  34           H        ARG  34  -0.639 -11.912  -1.336
  239    HA   ARG  34           HA       ARG  34  -1.939 -13.406  -3.407
  240   1HB   ARG  34          2HB       ARG  34  -2.825 -11.261  -2.487
  241   2HB   ARG  34          1HB       ARG  34  -1.478 -10.414  -3.248
  242   1HG   ARG  34          2HG       ARG  34  -3.202 -10.207  -4.837
  243   2HG   ARG  34          1HG       ARG  34  -2.276 -11.586  -5.435
  244   1HD   ARG  34          2HD       ARG  34  -4.464 -12.157  -3.497
  245   2HD   ARG  34          1HD       ARG  34  -4.940 -11.680  -5.124
  246    HE   ARG  34           HE       ARG  34  -3.120 -13.603  -5.631
  247   1HH1  ARG  34          2HH1      ARG  34  -4.149 -14.236  -2.660
  248   2HH1  ARG  34          1HH1      ARG  34  -5.191 -15.571  -3.020
  249   1HH2  ARG  34          1HH2      ARG  34  -5.185 -14.994  -6.441
  250   2HH2  ARG  34          2HH2      ARG  34  -5.778 -16.002  -5.162
  251    H    PHE  35           H        PHE  35   1.025 -11.529  -3.161
  252    HA   PHE  35           HA       PHE  35   1.594 -11.470  -5.963
  253   1HB   PHE  35          2HB       PHE  35   3.041 -10.799  -3.462
  254   2HB   PHE  35          1HB       PHE  35   4.041 -11.189  -4.860
  255    HD1  PHE  35           HD1      PHE  35   0.781  -9.376  -4.383
  256    HD2  PHE  35           HD2      PHE  35   4.778  -9.273  -5.959
  257    HE1  PHE  35           HE1      PHE  35   0.365  -7.110  -5.304
  258    HE2  PHE  35           HE2      PHE  35   4.356  -7.011  -6.876
  259    HZ   PHE  35           HZ       PHE  35   2.157  -5.929  -6.544
  260    H    GLU  36           H        GLU  36   2.127 -13.789  -3.403
  261    HA   GLU  36           HA       GLU  36   3.872 -15.386  -5.152
  262   1HB   GLU  36          2HB       GLU  36   3.801 -14.938  -2.341
  263   2HB   GLU  36          1HB       GLU  36   3.412 -16.636  -2.599
  264   1HG   GLU  36          2HG       GLU  36   5.748 -15.314  -3.989
  265   2HG   GLU  36          1HG       GLU  36   5.905 -16.036  -2.387
  266    H    ASP  37           H        ASP  37   1.144 -15.122  -5.865
  267    HA   ASP  37           HA       ASP  37   0.025 -17.774  -5.196
  268   1HB   ASP  37          2HB       ASP  37  -1.367 -15.673  -4.807
  269   2HB   ASP  37          1HB       ASP  37  -1.433 -15.512  -6.563
  270    H    ILE  38           H        ILE  38   0.210 -15.529  -7.965
  271    HA   ILE  38           HA       ILE  38   0.103 -17.832  -9.793
  272    HB   ILE  38           HB       ILE  38   0.024 -14.905 -10.536
  273   1HG1  ILE  38          2HG1      ILE  38  -2.309 -16.782 -10.024
  274   2HG1  ILE  38          1HG1      ILE  38  -1.806 -15.486  -8.938
  275   1HG2  ILE  38          1HG2      ILE  38  -0.558 -17.521 -11.915
  276   2HG2  ILE  38          3HG2      ILE  38  -1.293 -16.021 -12.481
  277   3HG2  ILE  38          2HG2      ILE  38   0.463 -16.190 -12.459
  278   1HD1  ILE  38          2HD1      ILE  38  -2.187 -13.833 -10.738
  279   2HD1  ILE  38          1HD1      ILE  38  -2.712 -15.130 -11.811
  280   3HD1  ILE  38          3HD1      ILE  38  -3.659 -14.736 -10.376
  281    H    GLY  39           H        GLY  39   2.442 -15.886  -8.336
  282   1HA   GLY  39          2HA       GLY  39   4.773 -16.396  -8.747
  283   2HA   GLY  39          1HA       GLY  39   4.383 -16.567 -10.457
  284    H    TYR  40           H        TYR  40   3.084 -14.006  -8.466
  285    HA   TYR  40           HA       TYR  40   4.240 -12.004 -10.224
  286   1HB   TYR  40          2HB       TYR  40   2.172 -12.025  -8.064
  287   2HB   TYR  40          1HB       TYR  40   2.964 -10.500  -8.451
  288    HD1  TYR  40           HD1      TYR  40   0.761 -13.177  -9.712
  289    HD2  TYR  40           HD2      TYR  40   2.694  -9.448 -10.633
  290    HE1  TYR  40           HE1      TYR  40  -0.685 -12.918 -11.710
  291    HE2  TYR  40           HE2      TYR  40   1.245  -9.192 -12.629
  292    HH   TYR  40           HH       TYR  40  -1.176 -10.126 -13.275
  293    H    ASP  41           H        ASP  41   6.480 -12.543  -9.536
  294    HA   ASP  41           HA       ASP  41   7.224 -11.663  -6.850
  295   1HB   ASP  41          2HB       ASP  41   9.580 -12.191  -7.662
  296   2HB   ASP  41          1HB       ASP  41   8.470 -13.553  -7.570
  297    H    SER  42           H        SER  42   7.948 -10.764 -10.204
  298    HA   SER  42           HA       SER  42   7.782  -7.985  -9.743
  299   1HB   SER  42          2HB       SER  42  10.055  -7.290  -9.703
  300   2HB   SER  42          1HB       SER  42   9.903  -8.535  -8.469
  301    HG   SER  42           HG       SER  42  11.619  -8.521 -10.374
  302    H    LEU  43           H        LEU  43   7.125 -10.093 -11.716
  303    HA   LEU  43           HA       LEU  43   8.651  -9.292 -14.079
  304   1HB   LEU  43          2HB       LEU  43   6.795 -11.517 -13.409
  305   2HB   LEU  43          1HB       LEU  43   6.812 -10.967 -15.085
  306    HG   LEU  43           HG       LEU  43   9.454 -11.363 -13.760
  307   1HD1  LEU  43          2HD1      LEU  43   7.440 -13.505 -14.225
  308   2HD1  LEU  43          1HD1      LEU  43   9.087 -13.843 -14.756
  309   3HD1  LEU  43          3HD1      LEU  43   8.770 -13.443 -13.068
  310   1HD2  LEU  43          1HD2      LEU  43   9.216 -10.557 -16.097
  311   2HD2  LEU  43          3HD2      LEU  43  10.043 -12.114 -16.029
  312   3HD2  LEU  43          2HD2      LEU  43   8.347 -12.035 -16.508
  313    H    ALA  44           H        ALA  44   5.178  -9.796 -13.494
  314    HA   ALA  44           HA       ALA  44   4.525  -7.721 -15.424
  315   1HB   ALA  44          1HB       ALA  44   3.006  -9.830 -13.959
  316   2HB   ALA  44          3HB       ALA  44   2.122  -8.423 -14.550
  317   3HB   ALA  44          2HB       ALA  44   3.016  -9.441 -15.679
  318    H    LEU  45           H        LEU  45   4.436  -8.201 -11.933
  319    HA   LEU  45           HA       LEU  45   2.807  -5.947 -11.341
  320   1HB   LEU  45          2HB       LEU  45   3.596  -6.177  -9.044
  321   2HB   LEU  45          1HB       LEU  45   3.202  -7.760  -9.708
  322    HG   LEU  45           HG       LEU  45   5.842  -7.560 -10.394
  323   1HD1  LEU  45          1HD1      LEU  45   5.316  -5.738  -8.114
  324   2HD1  LEU  45          3HD1      LEU  45   6.672  -6.846  -7.901
  325   3HD1  LEU  45          2HD1      LEU  45   6.646  -5.736  -9.273
  326   1HD2  LEU  45          2HD2      LEU  45   4.253  -8.891  -8.311
  327   2HD2  LEU  45          1HD2      LEU  45   5.528  -9.545  -9.338
  328   3HD2  LEU  45          3HD2      LEU  45   5.943  -8.692  -7.851
  329    H    MET  46           H        MET  46   6.195  -6.335 -12.047
  330    HA   MET  46           HA       MET  46   7.096  -3.846 -10.993
  331   1HB   MET  46          2HB       MET  46   8.572  -5.797 -11.591
  332   2HB   MET  46          1HB       MET  46   8.305  -5.399 -13.289
  333   1HG   MET  46          2HG       MET  46  10.222  -4.170 -12.920
  334   2HG   MET  46          1HG       MET  46   9.018  -2.969 -12.452
  335   1HE   MET  46          1HE       MET  46   9.918  -1.607 -11.229
  336   2HE   MET  46          3HE       MET  46   9.067  -1.914  -9.708
  337   3HE   MET  46          2HE       MET  46  10.821  -1.748  -9.723
  338    H    GLU  47           H        GLU  47   6.025  -4.896 -14.208
  339    HA   GLU  47           HA       GLU  47   6.510  -2.419 -15.514
  340   1HB   GLU  47          2HB       GLU  47   4.971  -4.894 -16.148
  341   2HB   GLU  47          1HB       GLU  47   4.617  -3.438 -17.078
  342   1HG   GLU  47          2HG       GLU  47   7.173  -3.238 -17.386
  343   2HG   GLU  47          1HG       GLU  47   7.239  -4.913 -16.839
  344    H    THR  48           H        THR  48   3.770  -3.742 -13.757
  345    HA   THR  48           HA       THR  48   1.830  -1.830 -14.511
  346    HB   THR  48           HB       THR  48   2.025  -3.254 -11.847
  347    HG1  THR  48           HG1      THR  48   1.657  -4.984 -12.943
  348   1HG2  THR  48          3HG2      THR  48   0.353  -1.330 -12.253
  349   2HG2  THR  48          2HG2      THR  48  -0.452  -2.440 -13.361
  350   3HG2  THR  48          1HG2      THR  48  -0.296  -2.857 -11.654
  351    H    ALA  49           H        ALA  49   4.118  -1.951 -11.809
  352    HA   ALA  49           HA       ALA  49   3.302   0.595 -10.740
  353   1HB   ALA  49          2HB       ALA  49   5.728  -1.124 -10.180
  354   2HB   ALA  49          1HB       ALA  49   5.299   0.330  -9.280
  355   3HB   ALA  49          3HB       ALA  49   4.234  -1.075  -9.244
  356    H    ALA  50           H        ALA  50   5.428  -0.407 -13.263
  357    HA   ALA  50           HA       ALA  50   7.227   1.830 -13.122
  358   1HB   ALA  50          2HB       ALA  50   6.693  -0.339 -15.126
  359   2HB   ALA  50          1HB       ALA  50   7.684   1.050 -15.571
  360   3HB   ALA  50          3HB       ALA  50   8.172   0.010 -14.233
  361    H    ARG  51           H        ARG  51   4.193   1.120 -14.723
  362    HA   ARG  51           HA       ARG  51   4.324   3.560 -16.328
  363   1HB   ARG  51          2HB       ARG  51   3.359   1.393 -17.208
  364   2HB   ARG  51          1HB       ARG  51   2.014   1.627 -16.090
  365   1HG   ARG  51          2HG       ARG  51   1.481   3.775 -17.130
  366   2HG   ARG  51          1HG       ARG  51   2.872   3.625 -18.204
  367   1HD   ARG  51          2HD       ARG  51   1.898   1.910 -19.447
  368   2HD   ARG  51          1HD       ARG  51   0.821   1.437 -18.138
  369    HE   ARG  51           HE       ARG  51  -0.701   3.039 -18.876
  370   1HH1  ARG  51          1HH2      ARG  51   0.881   5.492 -18.993
  371   2HH1  ARG  51          2HH2      ARG  51   1.008   5.829 -20.687
  372   1HH2  ARG  51          1HH1      ARG  51   0.575   4.205 -22.198
  373   2HH2  ARG  51          2HH1      ARG  51   0.117   2.623 -21.662
  374    H    LEU  52           H        LEU  52   2.771   2.320 -13.448
  375    HA   LEU  52           HA       LEU  52   0.895   4.515 -13.238
  376   1HB   LEU  52          2HB       LEU  52   0.678   2.079 -12.308
  377   2HB   LEU  52          1HB       LEU  52   1.599   2.716 -10.945
  378    HG   LEU  52           HG       LEU  52  -0.154   4.669 -11.026
  379   1HD1  LEU  52          3HD1      LEU  52  -1.371   2.509 -12.715
  380   2HD1  LEU  52          2HD1      LEU  52  -2.418   3.481 -11.682
  381   3HD1  LEU  52          1HD1      LEU  52  -1.437   4.258 -12.926
  382   1HD2  LEU  52          2HD2      LEU  52  -0.543   1.871  -9.971
  383   2HD2  LEU  52          1HD2      LEU  52  -0.103   3.332  -9.085
  384   3HD2  LEU  52          3HD2      LEU  52  -1.753   3.119  -9.671
  385    H    GLU  53           H        GLU  53   4.140   3.862 -12.178
  386    HA   GLU  53           HA       GLU  53   4.186   5.698  -9.991
  387   1HB   GLU  53          2HB       GLU  53   6.631   5.468 -10.106
  388   2HB   GLU  53          1HB       GLU  53   5.842   3.895 -10.179
  389   1HG   GLU  53          2HG       GLU  53   6.048   3.934 -12.661
  390   2HG   GLU  53          1HG       GLU  53   6.907   5.468 -12.545
  391    H    SER  54           H        SER  54   4.906   5.952 -13.433
  392    HA   SER  54           HA       SER  54   5.989   8.611 -13.250
  393   1HB   SER  54          2HB       SER  54   6.294   6.775 -15.118
  394   2HB   SER  54          1HB       SER  54   4.854   7.528 -15.798
  395    HG   SER  54           HG       SER  54   6.844   8.482 -16.512
  396    H    ARG  55           H        ARG  55   2.854   7.221 -14.146
  397    HA   ARG  55           HA       ARG  55   1.614   9.589 -15.022
  398   1HB   ARG  55          2HB       ARG  55   0.701   7.261 -15.295
  399   2HB   ARG  55          1HB       ARG  55   0.243   7.305 -13.592
  400   1HG   ARG  55          2HG       ARG  55  -1.083   9.372 -14.044
  401   2HG   ARG  55          1HG       ARG  55  -0.702   9.205 -15.758
  402   1HD   ARG  55          2HD       ARG  55  -1.766   6.971 -15.765
  403   2HD   ARG  55          1HD       ARG  55  -2.175   7.169 -14.064
  404    HE   ARG  55           HE       ARG  55  -3.648   8.210 -16.246
  405   1HH1  ARG  55          1HH2      ARG  55  -3.502  10.831 -15.811
  406   2HH1  ARG  55          2HH2      ARG  55  -4.281  11.213 -14.311
  407   1HH2  ARG  55          2HH1      ARG  55  -4.200   7.952 -13.132
  408   2HH2  ARG  55          1HH1      ARG  55  -4.676   9.583 -12.795
  409    H    TYR  56           H        TYR  56   1.563   8.052 -11.804
  410    HA   TYR  56           HA       TYR  56   0.023  10.072 -10.556
  411   1HB   TYR  56          2HB       TYR  56   1.806   7.879  -9.564
  412   2HB   TYR  56          1HB       TYR  56   1.227   9.106  -8.436
  413    HD1  TYR  56           HD2      TYR  56  -0.257   7.265 -11.358
  414    HD2  TYR  56           HD1      TYR  56  -0.654   8.420  -7.237
  415    HE1  TYR  56           HE2      TYR  56  -2.461   6.135 -11.252
  416    HE2  TYR  56           HE1      TYR  56  -2.854   7.301  -7.138
  417    HH   TYR  56           HH       TYR  56  -3.885   5.074  -9.248
  418    H    GLY  57           H        GLY  57   3.527   9.418 -10.196
  419   1HA   GLY  57          2HA       GLY  57   4.520  11.929 -10.696
  420   2HA   GLY  57          1HA       GLY  57   3.999  12.001  -9.017
  421    H    VAL  58           H        VAL  58   4.972  10.564  -7.483
  422    HA   VAL  58           HA       VAL  58   7.756  10.355  -7.707
  423    HB   VAL  58           HB       VAL  58   6.567  10.461  -5.559
  424   1HG1  VAL  58          2HG1      VAL  58   4.825   8.691  -6.553
  425   2HG1  VAL  58          1HG1      VAL  58   5.882   7.563  -5.704
  426   3HG1  VAL  58          3HG1      VAL  58   5.087   8.863  -4.818
  427   1HG2  VAL  58          1HG2      VAL  58   8.874   9.313  -5.921
  428   2HG2  VAL  58          3HG2      VAL  58   8.048   9.075  -4.382
  429   3HG2  VAL  58          2HG2      VAL  58   7.995   7.815  -5.614
  430    H    SER  59           H        SER  59   9.089   8.473  -7.716
  431    HA   SER  59           HA       SER  59   8.081   5.907  -8.529
  432   1HB   SER  59          2HB       SER  59   9.650   7.448 -10.605
  433   2HB   SER  59          1HB       SER  59   8.987   5.827 -10.762
  434    HG   SER  59           HG       SER  59   7.749   8.305 -10.905
  435    H    ILE  60           H        ILE  60   9.403   4.712  -7.271
  436    HA   ILE  60           HA       ILE  60  12.232   4.729  -7.830
  437    HB   ILE  60           HB       ILE  60  12.061   6.592  -6.220
  438   1HG1  ILE  60          2HG1      ILE  60  13.301   4.397  -4.620
  439   2HG1  ILE  60          1HG1      ILE  60  13.916   4.654  -6.254
  440   1HG2  ILE  60          2HG2      ILE  60  10.044   5.263  -5.059
  441   2HG2  ILE  60          1HG2      ILE  60  11.355   4.711  -4.017
  442   3HG2  ILE  60          3HG2      ILE  60  11.021   6.435  -4.175
  443   1HD1  ILE  60          3HD1      ILE  60  14.103   7.130  -5.646
  444   2HD1  ILE  60          2HD1      ILE  60  13.822   6.640  -3.975
  445   3HD1  ILE  60          1HD1      ILE  60  15.241   6.051  -4.841
  446    HA   PRO  61           HA       PRO  61  10.559   0.747  -5.992
  447   1HB   PRO  61          2HB       PRO  61   9.944  -0.661  -8.242
  448   2HB   PRO  61          1HB       PRO  61   8.788   0.392  -7.411
  449   1HG   PRO  61          2HG       PRO  61  10.168   0.798  -9.987
  450   2HG   PRO  61          1HG       PRO  61   8.667   1.516  -9.387
  451   1HD   PRO  61          2HD       PRO  61  11.268   2.729  -9.457
  452   2HD   PRO  61          1HD       PRO  61   9.770   3.396  -8.773
  453    H    ASP  62           H        ASP  62  12.984   0.796  -5.636
  454    HA   ASP  62           HA       ASP  62  14.487  -0.668  -7.690
  455   1HB   ASP  62          2HB       ASP  62  15.278   1.160  -5.461
  456   2HB   ASP  62          1HB       ASP  62  16.444  -0.021  -6.059
  457    H    ASP  63           H        ASP  63  15.120  -0.670  -4.196
  458    HA   ASP  63           HA       ASP  63  15.675  -3.489  -4.275
  459   1HB   ASP  63          2HB       ASP  63  16.672  -1.531  -2.761
  460   2HB   ASP  63          1HB       ASP  63  15.405  -2.083  -1.668
  461    H    VAL  64           H        VAL  64  13.513  -1.696  -2.066
  462    HA   VAL  64           HA       VAL  64  12.094  -3.860  -1.097
  463    HB   VAL  64           HB       VAL  64  11.942  -1.565  -0.194
  464   1HG1  VAL  64          2HG1      VAL  64  11.716  -0.497  -2.495
  465   2HG1  VAL  64          1HG1      VAL  64  10.021  -0.987  -2.455
  466   3HG1  VAL  64          3HG1      VAL  64  10.643   0.138  -1.248
  467   1HG2  VAL  64          1HG2      VAL  64  10.221  -3.302   0.332
  468   2HG2  VAL  64          3HG2      VAL  64   9.582  -1.660   0.404
  469   3HG2  VAL  64          2HG2      VAL  64   9.238  -2.680  -0.993
  470    H    ALA  65           H        ALA  65  11.389  -1.929  -3.978
  471    HA   ALA  65           HA       ALA  65   8.959  -3.230  -4.662
  472   1HB   ALA  65          2HB       ALA  65   9.758  -1.028  -5.589
  473   2HB   ALA  65          1HB       ALA  65  10.916  -1.930  -6.567
  474   3HB   ALA  65          3HB       ALA  65   9.185  -2.166  -6.810
  475    H    GLY  66           H        GLY  66  12.299  -3.667  -5.799
  476   1HA   GLY  66          2HA       GLY  66  11.865  -5.706  -7.652
  477   2HA   GLY  66          1HA       GLY  66  13.366  -5.459  -6.770
  478    H    ARG  67           H        ARG  67  11.760  -5.844  -4.181
  479    HA   ARG  67           HA       ARG  67  11.540  -8.790  -4.356
  480   1HB   ARG  67          2HB       ARG  67  12.466  -8.942  -2.092
  481   2HB   ARG  67          1HB       ARG  67  13.600  -8.134  -3.172
  482   1HG   ARG  67          2HG       ARG  67  12.402  -5.946  -2.312
  483   2HG   ARG  67          1HG       ARG  67  11.940  -6.973  -0.956
  484   1HD   ARG  67          2HD       ARG  67  14.456  -7.638  -0.907
  485   2HD   ARG  67          1HD       ARG  67  14.698  -6.181  -1.865
  486    HE   ARG  67           HE       ARG  67  13.693  -4.929   0.022
  487   1HH1  ARG  67          1HH2      ARG  67  13.048  -7.887   1.159
  488   2HH1  ARG  67          2HH2      ARG  67  14.030  -7.827   2.584
  489   1HH2  ARG  67          2HH1      ARG  67  15.734  -4.968   1.613
  490   2HH2  ARG  67          1HH1      ARG  67  15.550  -6.176   2.841
  491    H    VAL  68           H        VAL  68   9.269  -7.411  -4.789
  492    HA   VAL  68           HA       VAL  68   7.880  -7.202  -2.213
  493    HB   VAL  68           HB       VAL  68   7.579  -5.389  -3.915
  494   1HG1  VAL  68          3HG1      VAL  68   7.545  -7.038  -5.886
  495   2HG1  VAL  68          2HG1      VAL  68   5.875  -7.368  -5.434
  496   3HG1  VAL  68          1HG1      VAL  68   6.348  -5.742  -5.921
  497   1HG2  VAL  68          1HG2      VAL  68   5.244  -7.026  -2.935
  498   2HG2  VAL  68          3HG2      VAL  68   5.895  -5.530  -2.265
  499   3HG2  VAL  68          2HG2      VAL  68   5.005  -5.500  -3.788
  500    H    ASP  69           H        ASP  69   7.087  -9.020  -1.416
  501    HA   ASP  69           HA       ASP  69   6.004 -11.030  -3.298
  502   1HB   ASP  69          2HB       ASP  69   7.979 -11.566  -1.673
  503   2HB   ASP  69          1HB       ASP  69   6.707 -11.665  -0.456
  504    H    THR  70           H        THR  70   4.729  -8.592  -1.811
  505    HA   THR  70           HA       THR  70   2.334 -10.086  -0.998
  506    HB   THR  70           HB       THR  70   2.201  -8.135   0.829
  507    HG1  THR  70           HG1      THR  70   4.960  -8.749   0.649
  508   1HG2  THR  70          2HG2      THR  70   2.328 -10.780   0.947
  509   2HG2  THR  70          1HG2      THR  70   3.962 -10.453   1.523
  510   3HG2  THR  70          3HG2      THR  70   2.573  -9.802   2.394
  511    HA   PRO  71           HA       PRO  71   0.369  -6.846  -3.278
  512   1HB   PRO  71          2HB       PRO  71  -2.135  -6.898  -2.193
  513   2HB   PRO  71          1HB       PRO  71  -1.515  -8.154  -3.273
  514   1HG   PRO  71          2HG       PRO  71  -1.929  -8.232  -0.339
  515   2HG   PRO  71          1HG       PRO  71  -1.962  -9.552  -1.518
  516   1HD   PRO  71          2HD       PRO  71   0.172  -8.929   0.231
  517   2HD   PRO  71          1HD       PRO  71   0.242 -10.035  -1.161
  518    H    ARG  72           H        ARG  72  -0.541  -6.715   0.166
  519    HA   ARG  72           HA       ARG  72  -1.185  -3.992   0.307
  520   1HB   ARG  72          2HB       ARG  72  -1.570  -5.802   2.073
  521   2HB   ARG  72          1HB       ARG  72   0.100  -5.524   2.566
  522   1HG   ARG  72          2HG       ARG  72  -1.039  -4.036   3.954
  523   2HG   ARG  72          1HG       ARG  72  -0.629  -2.996   2.588
  524   1HD   ARG  72          2HD       ARG  72  -2.893  -2.540   2.811
  525   2HD   ARG  72          1HD       ARG  72  -2.932  -3.846   1.633
  526    HE   ARG  72           HE       ARG  72  -3.270  -5.309   3.750
  527   1HH1  ARG  72          1HH2      ARG  72  -5.209  -2.911   2.490
  528   2HH1  ARG  72          2HH2      ARG  72  -6.207  -2.702   3.890
  529   1HH2  ARG  72          2HH1      ARG  72  -4.214  -4.675   5.930
  530   2HH2  ARG  72          1HH1      ARG  72  -5.645  -3.702   5.838
  531    H    GLU  73           H        GLU  73   1.903  -5.558   0.083
  532    HA   GLU  73           HA       GLU  73   3.474  -3.467   1.238
  533   1HB   GLU  73          2HB       GLU  73   4.019  -5.907  -0.388
  534   2HB   GLU  73          1HB       GLU  73   5.259  -4.655  -0.347
  535   1HG   GLU  73          2HG       GLU  73   3.983  -5.881   2.113
  536   2HG   GLU  73          1HG       GLU  73   5.546  -6.364   1.454
  537    H    LEU  74           H        LEU  74   2.544  -4.329  -2.080
  538    HA   LEU  74           HA       LEU  74   4.045  -2.350  -3.408
  539   1HB   LEU  74          2HB       LEU  74   2.755  -4.355  -4.404
  540   2HB   LEU  74          1HB       LEU  74   1.355  -3.283  -4.386
  541    HG   LEU  74           HG       LEU  74   3.018  -1.589  -5.542
  542   1HD1  LEU  74          1HD1      LEU  74   4.873  -3.399  -5.193
  543   2HD1  LEU  74          3HD1      LEU  74   4.153  -4.164  -6.609
  544   3HD1  LEU  74          2HD1      LEU  74   4.809  -2.532  -6.727
  545   1HD2  LEU  74          2HD2      LEU  74   1.421  -3.854  -6.655
  546   2HD2  LEU  74          1HD2      LEU  74   1.205  -2.116  -6.870
  547   3HD2  LEU  74          3HD2      LEU  74   2.456  -2.968  -7.775
  548    H    LEU  75           H        LEU  75   0.753  -2.302  -2.083
  549    HA   LEU  75           HA       LEU  75  -0.003   0.261  -2.993
  550   1HB   LEU  75          2HB       LEU  75  -1.602  -1.346  -2.015
  551   2HB   LEU  75          1HB       LEU  75  -0.821  -1.175  -0.447
  552    HG   LEU  75           HG       LEU  75  -1.325   1.408  -0.853
  553   1HD1  LEU  75          2HD1      LEU  75  -2.239   0.927  -3.152
  554   2HD1  LEU  75          1HD1      LEU  75  -3.566   0.062  -2.378
  555   3HD1  LEU  75          3HD1      LEU  75  -3.356   1.789  -2.095
  556   1HD2  LEU  75          1HD2      LEU  75  -3.032  -0.816   0.184
  557   2HD2  LEU  75          3HD2      LEU  75  -2.283   0.521   1.056
  558   3HD2  LEU  75          2HD2      LEU  75  -3.735   0.798   0.095
  559    H    ASP  76           H        ASP  76   1.417  -0.740   0.124
  560    HA   ASP  76           HA       ASP  76   1.705   1.921   1.102
  561   1HB   ASP  76          2HB       ASP  76   1.707  -0.295   2.435
  562   2HB   ASP  76          1HB       ASP  76   3.418  -0.376   2.009
  563    H    LEU  77           H        LEU  77   3.442   0.183  -1.261
  564    HA   LEU  77           HA       LEU  77   6.036   1.310  -0.786
  565   1HB   LEU  77          2HB       LEU  77   5.101  -0.768  -2.310
  566   2HB   LEU  77          1HB       LEU  77   5.408   0.458  -3.538
  567    HG   LEU  77           HG       LEU  77   7.696   0.783  -2.521
  568   1HD1  LEU  77          2HD1      LEU  77   6.737  -0.505  -0.370
  569   2HD1  LEU  77          1HD1      LEU  77   7.427  -1.887  -1.220
  570   3HD1  LEU  77          3HD1      LEU  77   8.451  -0.520  -0.780
  571   1HD2  LEU  77          3HD2      LEU  77   6.714  -1.671  -3.893
  572   2HD2  LEU  77          2HD2      LEU  77   7.914  -0.492  -4.422
  573   3HD2  LEU  77          1HD2      LEU  77   8.354  -1.733  -3.250
  574    H    ILE  78           H        ILE  78   3.720   1.810  -3.468
  575    HA   ILE  78           HA       ILE  78   5.021   4.203  -4.349
  576    HB   ILE  78           HB       ILE  78   2.193   3.315  -4.956
  577   1HG1  ILE  78          2HG1      ILE  78   3.794   1.493  -5.429
  578   2HG1  ILE  78          1HG1      ILE  78   3.172   2.182  -6.926
  579   1HG2  ILE  78          2HG2      ILE  78   2.797   5.642  -5.589
  580   2HG2  ILE  78          1HG2      ILE  78   4.158   5.015  -6.521
  581   3HG2  ILE  78          3HG2      ILE  78   2.506   4.624  -7.000
  582   1HD1  ILE  78          2HD1      ILE  78   5.227   3.619  -7.052
  583   2HD1  ILE  78          1HD1      ILE  78   5.859   2.764  -5.645
  584   3HD1  ILE  78          3HD1      ILE  78   5.574   1.892  -7.152
  585    H    ASN  79           H        ASN  79   2.064   3.542  -2.541
  586    HA   ASN  79           HA       ASN  79   1.114   6.146  -2.211
  587   1HB   ASN  79          2HB       ASN  79   0.038   3.883  -1.554
  588   2HB   ASN  79          1HB       ASN  79   0.913   4.076  -0.035
  589   1HD2  ASN  79          2HD2      ASN  79  -2.471   5.684   0.261
  590   2HD2  ASN  79          1HD2      ASN  79  -1.951   4.122  -0.151
  591    H    GLY  80           H        GLY  80   3.618   4.388  -0.481
  592   1HA   GLY  80          2HA       GLY  80   3.881   6.283   1.660
  593   2HA   GLY  80          1HA       GLY  80   5.017   4.997   1.260
  594    H    ALA  81           H        ALA  81   5.490   5.757  -1.444
  595    HA   ALA  81           HA       ALA  81   7.633   7.547  -1.136
  596   1HB   ALA  81          2HB       ALA  81   7.079   5.855  -3.059
  597   2HB   ALA  81          1HB       ALA  81   6.257   7.237  -3.780
  598   3HB   ALA  81          3HB       ALA  81   7.981   7.326  -3.424
  599    H    LEU  82           H        LEU  82   4.540   8.126  -2.835
  600    HA   LEU  82           HA       LEU  82   4.945  10.898  -3.188
  601   1HB   LEU  82          2HB       LEU  82   2.497  10.997  -3.604
  602   2HB   LEU  82          1HB       LEU  82   3.291   9.714  -4.515
  603    HG   LEU  82           HG       LEU  82   2.664   8.371  -2.231
  604   1HD1  LEU  82          3HD1      LEU  82   1.418  10.636  -1.643
  605   2HD1  LEU  82          2HD1      LEU  82   0.171   9.968  -2.697
  606   3HD1  LEU  82          1HD1      LEU  82   0.680   9.081  -1.259
  607   1HD2  LEU  82          1HD2      LEU  82   1.102   8.816  -4.781
  608   2HD2  LEU  82          3HD2      LEU  82   2.119   7.442  -4.344
  609   3HD2  LEU  82          2HD2      LEU  82   0.557   7.667  -3.559
  610    H    ALA  83           H        ALA  83   3.718   9.022  -0.509
  611    HA   ALA  83           HA       ALA  83   2.364  11.042   0.908
  612   1HB   ALA  83          3HB       ALA  83   3.894   8.653   1.963
  613   2HB   ALA  83          2HB       ALA  83   2.778   9.639   2.908
  614   3HB   ALA  83          1HB       ALA  83   2.182   8.693   1.543
  615    H    GLU  84           H        GLU  84   5.763  10.233   0.637
  616    HA   GLU  84           HA       GLU  84   6.468  12.294   2.616
  617   1HB   GLU  84          2HB       GLU  84   7.937   9.985   1.387
  618   2HB   GLU  84          1HB       GLU  84   8.844  11.337   2.064
  619   1HG   GLU  84          2HG       GLU  84   8.643  10.059   3.972
  620   2HG   GLU  84          1HG       GLU  84   7.133  10.964   4.090
  621    H    ALA  85           H        ALA  85   5.370  13.055   0.069
  622    HA   ALA  85           HA       ALA  85   7.390  13.821  -1.774
  623   1HB   ALA  85          3HB       ALA  85   4.557  14.708  -1.291
  624   2HB   ALA  85          2HB       ALA  85   5.576  15.553  -2.455
  625   3HB   ALA  85          1HB       ALA  85   5.226  13.839  -2.672
  626    H    ALA  86           HN       ALA  86   5.414  16.024   0.206
  627    HA   ALA  86           HA       ALA  86   7.467  18.054   0.127
  628   1HB   ALA  86          1HB       ALA  86   4.853  18.326   0.253
  629   2HB   ALA  86          3HB       ALA  86   5.124  18.184   1.990
  630   3HB   ALA  86          2HB       ALA  86   5.902  19.479   1.080
   
  No H/Q in entry =         630
  Start of MODEL    7
    1   1H    MET   1          3H        MET   1  -2.477  13.705   4.202
    2   2H    MET   1          2H        MET   1  -2.265  14.987   5.298
    3   3H    MET   1          1H        MET   1  -2.047  13.382   5.811
    4    HA   MET   1           HA       MET   1  -4.358  12.898   5.551
    5   1HB   MET   1          2HB       MET   1  -3.649  15.414   7.064
    6   2HB   MET   1          1HB       MET   1  -5.279  14.742   7.115
    7   1HG   MET   1          2HG       MET   1  -2.915  12.963   7.643
    8   2HG   MET   1          1HG       MET   1  -3.537  14.000   8.927
    9   1HE   MET   1          2HE       MET   1  -3.437  11.479   9.803
   10   2HE   MET   1          1HE       MET   1  -4.679  12.383  10.666
   11   3HE   MET   1          3HE       MET   1  -5.003  10.734  10.116
   12    H    ALA   2           H        ALA   2  -4.106  13.638   3.047
   13    HA   ALA   2           HA       ALA   2  -6.362  15.461   2.625
   14   1HB   ALA   2          3HB       ALA   2  -3.615  15.833   1.429
   15   2HB   ALA   2          2HB       ALA   2  -5.067  16.530   0.709
   16   3HB   ALA   2          1HB       ALA   2  -4.574  17.005   2.334
   17    H    THR   3           H        THR   3  -3.867  13.731   0.746
   18    HA   THR   3           HA       THR   3  -6.006  12.178  -0.554
   19    HB   THR   3           HB       THR   3  -3.740  13.379  -2.142
   20    HG1  THR   3           HG1      THR   3  -4.847  15.144  -2.310
   21   1HG2  THR   3          3HG2      THR   3  -5.096  11.314  -2.887
   22   2HG2  THR   3          2HG2      THR   3  -6.444  12.434  -3.085
   23   3HG2  THR   3          1HG2      THR   3  -4.970  12.654  -4.027
   24    H    LEU   4           H        LEU   4  -5.524  10.089  -0.808
   25    HA   LEU   4           HA       LEU   4  -2.795   9.145  -1.031
   26   1HB   LEU   4          2HB       LEU   4  -3.015   7.619   0.957
   27   2HB   LEU   4          1HB       LEU   4  -2.853   9.326   1.371
   28    HG   LEU   4           HG       LEU   4  -5.626   8.336   0.970
   29   1HD1  LEU   4          1HD1      LEU   4  -4.534   6.479   2.228
   30   2HD1  LEU   4          3HD1      LEU   4  -4.022   7.643   3.451
   31   3HD1  LEU   4          2HD1      LEU   4  -5.739   7.330   3.194
   32   1HD2  LEU   4          2HD2      LEU   4  -4.559  10.656   1.836
   33   2HD2  LEU   4          1HD2      LEU   4  -6.131  10.078   2.387
   34   3HD2  LEU   4          3HD2      LEU   4  -4.698   9.819   3.382
   35    H    LEU   5           H        LEU   5  -2.751   6.728  -1.238
   36    HA   LEU   5           HA       LEU   5  -5.069   5.892  -2.810
   37   1HB   LEU   5          2HB       LEU   5  -2.271   4.849  -2.485
   38   2HB   LEU   5          1HB       LEU   5  -3.525   3.812  -3.155
   39    HG   LEU   5           HG       LEU   5  -2.658   6.511  -4.242
   40   1HD1  LEU   5          1HD1      LEU   5  -1.117   4.598  -4.652
   41   2HD1  LEU   5          3HD1      LEU   5  -2.453   3.708  -5.383
   42   3HD1  LEU   5          2HD1      LEU   5  -1.860   5.187  -6.140
   43   1HD2  LEU   5          2HD2      LEU   5  -5.018   4.769  -4.767
   44   2HD2  LEU   5          1HD2      LEU   5  -4.848   6.513  -4.959
   45   3HD2  LEU   5          3HD2      LEU   5  -4.203   5.425  -6.187
   46    H    THR   6           H        THR   6  -5.919   3.717  -2.584
   47    HA   THR   6           HA       THR   6  -5.780   2.690   0.184
   48    HB   THR   6           HB       THR   6  -8.234   2.215   0.030
   49    HG1  THR   6           HG1      THR   6  -9.336   2.877  -1.666
   50   1HG2  THR   6          1HG2      THR   6  -7.315   5.093  -0.186
   51   2HG2  THR   6          3HG2      THR   6  -8.920   4.610   0.360
   52   3HG2  THR   6          2HG2      THR   6  -7.495   4.146   1.290
   53    H    THR   7           H        THR   7  -7.110   0.513   0.195
   54    HA   THR   7           HA       THR   7  -5.666  -1.345  -1.379
   55    HB   THR   7           HB       THR   7  -8.269  -1.689   0.150
   56    HG1  THR   7           HG1      THR   7  -6.818  -2.547   1.716
   57   1HG2  THR   7          3HG2      THR   7  -6.292  -3.745  -0.869
   58   2HG2  THR   7          2HG2      THR   7  -7.699  -4.085   0.142
   59   3HG2  THR   7          1HG2      THR   7  -7.916  -3.477  -1.500
   60    H    ASP   8           H        ASP   8  -8.741   0.282  -1.817
   61    HA   ASP   8           HA       ASP   8  -9.809  -1.335  -3.869
   62   1HB   ASP   8          2HB       ASP   8 -11.024   0.518  -2.640
   63   2HB   ASP   8          1HB       ASP   8 -10.141   1.664  -3.650
   64    H    ASP   9           H        ASP   9  -7.401   1.202  -3.854
   65    HA   ASP   9           HA       ASP   9  -7.284   1.566  -6.691
   66   1HB   ASP   9          2HB       ASP   9  -6.493   3.245  -4.960
   67   2HB   ASP   9          1HB       ASP   9  -5.090   2.205  -4.718
   68    H    LEU  10           H        LEU  10  -4.911   0.084  -4.418
   69    HA   LEU  10           HA       LEU  10  -3.327  -0.944  -6.500
   70   1HB   LEU  10          2HB       LEU  10  -1.911  -1.654  -4.890
   71   2HB   LEU  10          1HB       LEU  10  -2.924  -0.676  -3.849
   72    HG   LEU  10           HG       LEU  10  -2.569  -2.739  -2.725
   73   1HD1  LEU  10          1HD1      LEU  10  -5.052  -1.809  -3.271
   74   2HD1  LEU  10          3HD1      LEU  10  -5.206  -3.492  -3.778
   75   3HD1  LEU  10          2HD1      LEU  10  -4.703  -3.110  -2.132
   76   1HD2  LEU  10          2HD2      LEU  10  -2.377  -3.849  -5.302
   77   2HD2  LEU  10          1HD2      LEU  10  -2.184  -4.691  -3.766
   78   3HD2  LEU  10          3HD2      LEU  10  -3.761  -4.648  -4.555
   79    H    ARG  11           H        ARG  11  -6.356  -2.042  -5.363
   80    HA   ARG  11           HA       ARG  11  -6.032  -4.797  -6.183
   81   1HB   ARG  11          2HB       ARG  11  -7.797  -3.727  -4.524
   82   2HB   ARG  11          1HB       ARG  11  -8.720  -3.495  -6.004
   83   1HG   ARG  11          2HG       ARG  11  -7.466  -6.167  -5.438
   84   2HG   ARG  11          1HG       ARG  11  -8.989  -5.734  -4.663
   85   1HD   ARG  11          2HD       ARG  11  -9.938  -5.216  -6.913
   86   2HD   ARG  11          1HD       ARG  11  -8.439  -5.782  -7.642
   87    HE   ARG  11           HE       ARG  11  -9.195  -7.946  -7.323
   88   1HH1  ARG  11          2HH1      ARG  11  -9.501  -8.857  -4.845
   89   2HH1  ARG  11          1HH1      ARG  11 -11.161  -8.711  -4.373
   90   1HH2  ARG  11          1HH2      ARG  11 -11.943  -6.425  -6.861
   91   2HH2  ARG  11          2HH2      ARG  11 -12.544  -7.334  -5.514
   92    H    ARG  12           H        ARG  12  -7.855  -2.004  -7.408
   93    HA   ARG  12           HA       ARG  12  -8.740  -3.113  -9.816
   94   1HB   ARG  12          2HB       ARG  12  -9.265  -0.806  -8.695
   95   2HB   ARG  12          1HB       ARG  12  -7.919  -0.232  -9.680
   96   1HG   ARG  12          2HG       ARG  12  -9.260  -1.655 -11.546
   97   2HG   ARG  12          1HG       ARG  12 -10.611  -1.172 -10.519
   98   1HD   ARG  12          2HD       ARG  12 -10.205   0.499 -12.287
   99   2HD   ARG  12          1HD       ARG  12  -9.919   1.180 -10.690
  100    HE   ARG  12           HE       ARG  12  -7.519   0.121 -11.876
  101   1HH1  ARG  12          1HH2      ARG  12  -6.932   2.394 -10.374
  102   2HH1  ARG  12          2HH2      ARG  12  -6.960   3.738 -11.468
  103   1HH2  ARG  12          2HH1      ARG  12  -8.750   2.049 -13.911
  104   2HH2  ARG  12          1HH1      ARG  12  -7.990   3.542 -13.471
  105    H    ALA  13           H        ALA  13  -5.607  -1.865  -8.922
  106    HA   ALA  13           HA       ALA  13  -4.599  -1.571 -11.591
  107   1HB   ALA  13          2HB       ALA  13  -3.721  -0.632  -9.250
  108   2HB   ALA  13          1HB       ALA  13  -2.743  -2.098  -9.319
  109   3HB   ALA  13          3HB       ALA  13  -2.633  -0.901 -10.611
  110    H    LEU  14           H        LEU  14  -4.234  -4.038  -9.047
  111    HA   LEU  14           HA       LEU  14  -2.557  -5.784 -10.484
  112   1HB   LEU  14          2HB       LEU  14  -4.420  -6.093  -8.169
  113   2HB   LEU  14          1HB       LEU  14  -3.806  -7.549  -8.953
  114    HG   LEU  14           HG       LEU  14  -1.835  -5.399  -8.330
  115   1HD1  LEU  14          2HD1      LEU  14  -3.402  -5.743  -6.305
  116   2HD1  LEU  14          1HD1      LEU  14  -2.696  -7.357  -6.199
  117   3HD1  LEU  14          3HD1      LEU  14  -1.670  -5.932  -6.028
  118   1HD2  LEU  14          3HD2      LEU  14  -1.593  -7.837  -9.411
  119   2HD2  LEU  14          2HD2      LEU  14  -0.335  -7.155  -8.381
  120   3HD2  LEU  14          1HD2      LEU  14  -1.496  -8.303  -7.713
  121    H    VAL  15           H        VAL  15  -6.002  -5.246 -10.638
  122    HA   VAL  15           HA       VAL  15  -6.488  -7.651 -12.205
  123    HB   VAL  15           HB       VAL  15  -8.375  -5.358 -11.622
  124   1HG1  VAL  15          3HG1      VAL  15  -8.709  -8.184 -12.648
  125   2HG1  VAL  15          2HG1      VAL  15 -10.053  -7.258 -11.979
  126   3HG1  VAL  15          1HG1      VAL  15  -9.217  -6.682 -13.422
  127   1HG2  VAL  15          3HG2      VAL  15  -7.354  -6.568  -9.597
  128   2HG2  VAL  15          2HG2      VAL  15  -9.115  -6.561  -9.701
  129   3HG2  VAL  15          1HG2      VAL  15  -8.211  -8.003 -10.163
  130    H    GLU  16           H        GLU  16  -5.805  -4.278 -12.723
  131    HA   GLU  16           HA       GLU  16  -6.894  -3.875 -15.267
  132   1HB   GLU  16          2HB       GLU  16  -5.597  -2.251 -13.646
  133   2HB   GLU  16          1HB       GLU  16  -4.200  -2.751 -14.601
  134   1HG   GLU  16          2HG       GLU  16  -5.511  -2.159 -16.675
  135   2HG   GLU  16          1HG       GLU  16  -6.747  -1.468 -15.623
  136    H    CYS  17           H        CYS  17  -3.805  -5.307 -14.287
  137    HA   CYS  17           HA       CYS  17  -3.109  -5.857 -17.080
  138   1HB   CYS  17          2HB       CYS  17  -1.654  -5.937 -14.476
  139   2HB   CYS  17          1HB       CYS  17  -1.092  -6.993 -15.770
  140    HG   CYS  17           HG       CYS  17  -1.511  -4.055 -16.602
  141    H    ALA  18           H        ALA  18  -5.430  -7.217 -16.050
  142    HA   ALA  18           HA       ALA  18  -4.443 -10.003 -16.126
  143   1HB   ALA  18          3HB       ALA  18  -5.356  -9.471 -13.900
  144   2HB   ALA  18          2HB       ALA  18  -6.871  -8.963 -14.645
  145   3HB   ALA  18          1HB       ALA  18  -6.365 -10.649 -14.739
  146    H    GLY  19           H        GLY  19  -7.494  -8.186 -16.494
  147   1HA   GLY  19          2HA       GLY  19  -8.124  -8.207 -19.045
  148   2HA   GLY  19          1HA       GLY  19  -8.237  -9.937 -18.733
  149    H    GLU  20           H        GLU  20  -9.883 -10.737 -17.403
  150    HA   GLU  20           HA       GLU  20 -11.801  -8.963 -16.169
  151   1HB   GLU  20          2HB       GLU  20 -13.724  -9.795 -17.536
  152   2HB   GLU  20          1HB       GLU  20 -12.609  -8.774 -18.444
  153   1HG   GLU  20          2HG       GLU  20 -11.503 -10.773 -19.360
  154   2HG   GLU  20          1HG       GLU  20 -12.596 -11.807 -18.439
  155    H    THR  21           H        THR  21 -13.486 -10.140 -15.034
  156    HA   THR  21           HA       THR  21 -13.597 -12.966 -14.912
  157    HB   THR  21           HB       THR  21 -11.402 -12.872 -13.899
  158    HG1  THR  21           HG1      THR  21 -12.445 -14.362 -12.805
  159   1HG2  THR  21          3HG2      THR  21 -12.022 -10.375 -13.088
  160   2HG2  THR  21          2HG2      THR  21 -12.321 -11.249 -11.586
  161   3HG2  THR  21          1HG2      THR  21 -10.732 -11.323 -12.348
  162    H    ASP  22           H        ASP  22 -15.658 -13.197 -14.407
  163    HA   ASP  22           HA       ASP  22 -16.907 -11.312 -12.520
  164   1HB   ASP  22          2HB       ASP  22 -19.050 -12.303 -13.348
  165   2HB   ASP  22          1HB       ASP  22 -18.098 -11.534 -14.618
  166    H    GLY  23           H        GLY  23 -15.100 -13.499 -11.699
  167   1HA   GLY  23          2HA       GLY  23 -17.022 -15.131 -10.137
  168   2HA   GLY  23          1HA       GLY  23 -15.443 -15.713 -10.655
  169    H    THR  24           H        THR  24 -13.651 -15.245  -9.464
  170    HA   THR  24           HA       THR  24 -12.377 -14.599  -7.670
  171    HB   THR  24           HB       THR  24 -14.253 -12.400  -6.951
  172    HG1  THR  24           HG1      THR  24 -12.614 -12.425  -9.263
  173   1HG2  THR  24          3HG2      THR  24 -11.335 -12.988  -6.932
  174   2HG2  THR  24          2HG2      THR  24 -11.815 -11.305  -7.148
  175   3HG2  THR  24          1HG2      THR  24 -12.330 -12.193  -5.713
  176    H    ASP  25           H        ASP  25 -12.264 -15.418  -5.688
  177    HA   ASP  25           HA       ASP  25 -14.797 -15.899  -4.233
  178   1HB   ASP  25          2HB       ASP  25 -12.318 -17.613  -4.443
  179   2HB   ASP  25          1HB       ASP  25 -13.558 -17.865  -3.213
  180    H    LEU  26           H        LEU  26 -13.086 -13.560  -4.043
  181    HA   LEU  26           HA       LEU  26 -11.805 -13.882  -1.416
  182   1HB   LEU  26          2HB       LEU  26 -11.791 -11.539  -3.335
  183   2HB   LEU  26          1HB       LEU  26 -10.893 -11.626  -1.819
  184    HG   LEU  26           HG       LEU  26 -10.576 -13.720  -3.973
  185   1HD1  LEU  26          1HD1      LEU  26  -9.470 -10.961  -3.810
  186   2HD1  LEU  26          3HD1      LEU  26  -8.337 -12.243  -4.237
  187   3HD1  LEU  26          2HD1      LEU  26  -9.773 -11.970  -5.224
  188   1HD2  LEU  26          3HD2      LEU  26  -8.902 -12.792  -1.617
  189   2HD2  LEU  26          2HD2      LEU  26  -9.751 -14.331  -1.766
  190   3HD2  LEU  26          1HD2      LEU  26  -8.368 -13.983  -2.803
  191    H    SER  27           H        SER  27 -13.784 -14.102  -0.244
  192    HA   SER  27           HA       SER  27 -15.480 -11.695  -0.133
  193   1HB   SER  27          2HB       SER  27 -15.914 -14.449   1.047
  194   2HB   SER  27          1HB       SER  27 -17.047 -13.104   1.148
  195    HG   SER  27           HG       SER  27 -17.412 -14.625  -0.610
  196    H    GLY  28           H        GLY  28 -12.832 -11.647   0.967
  197   1HA   GLY  28          2HA       GLY  28 -13.476 -10.727   3.632
  198   2HA   GLY  28          1HA       GLY  28 -12.438 -12.150   3.612
  199    H    ASP  29           H        ASP  29 -10.406 -12.008   2.431
  200    HA   ASP  29           HA       ASP  29  -9.428  -9.297   1.886
  201   1HB   ASP  29          2HB       ASP  29  -8.215 -11.170   3.926
  202   2HB   ASP  29          1HB       ASP  29  -7.359  -9.787   3.244
  203    H    PHE  30           H        PHE  30  -7.621  -9.228   0.532
  204    HA   PHE  30           HA       PHE  30  -6.741 -11.813  -0.599
  205   1HB   PHE  30          2HB       PHE  30  -6.700 -10.676  -2.848
  206   2HB   PHE  30          1HB       PHE  30  -8.307 -10.969  -2.189
  207    HD1  PHE  30           HD2      PHE  30  -5.651  -8.332  -2.428
  208    HD2  PHE  30           HD1      PHE  30  -9.825  -9.202  -1.897
  209    HE1  PHE  30           HE2      PHE  30  -6.171  -5.916  -2.579
  210    HE2  PHE  30           HE1      PHE  30 -10.345  -6.783  -2.044
  211    HZ   PHE  30           HZ       PHE  30  -8.520  -5.142  -2.385
  212    H    LEU  31           H        LEU  31  -5.575  -9.741   1.291
  213    HA   LEU  31           HA       LEU  31  -3.131  -9.163  -0.267
  214   1HB   LEU  31          2HB       LEU  31  -4.274  -7.638   2.085
  215   2HB   LEU  31          1HB       LEU  31  -2.749  -7.272   1.270
  216    HG   LEU  31           HG       LEU  31  -5.274  -7.507  -0.338
  217   1HD1  LEU  31          3HD1      LEU  31  -5.250  -5.799   1.766
  218   2HD1  LEU  31          2HD1      LEU  31  -4.468  -4.795   0.544
  219   3HD1  LEU  31          1HD1      LEU  31  -6.075  -5.455   0.245
  220   1HD2  LEU  31          2HD2      LEU  31  -2.549  -6.287  -0.597
  221   2HD2  LEU  31          1HD2      LEU  31  -3.448  -7.270  -1.753
  222   3HD2  LEU  31          3HD2      LEU  31  -3.885  -5.580  -1.506
  223    H    ASP  32           H        ASP  32  -2.901 -11.516   0.453
  224    HA   ASP  32           HA       ASP  32  -1.025 -11.550   2.672
  225   1HB   ASP  32          2HB       ASP  32  -3.522 -13.268   2.672
  226   2HB   ASP  32          1HB       ASP  32  -2.122 -13.552   3.708
  227    H    LEU  33           H        LEU  33   0.370 -11.902   0.868
  228    HA   LEU  33           HA       LEU  33   1.704 -13.271  -0.417
  229   1HB   LEU  33          2HB       LEU  33   0.866 -15.007   1.498
  230   2HB   LEU  33          1HB       LEU  33   0.153 -15.753   0.068
  231    HG   LEU  33           HG       LEU  33   2.550 -15.304  -0.965
  232   1HD1  LEU  33          1HD1      LEU  33   3.106 -14.155   1.343
  233   2HD1  LEU  33          3HD1      LEU  33   3.374 -15.814   1.876
  234   3HD1  LEU  33          2HD1      LEU  33   4.321 -15.153   0.544
  235   1HD2  LEU  33          3HD2      LEU  33   1.575 -17.503   0.828
  236   2HD2  LEU  33          2HD2      LEU  33   1.898 -17.537  -0.905
  237   3HD2  LEU  33          1HD2      LEU  33   3.237 -17.562   0.241
  238    H    ARG  34           H        ARG  34  -0.620 -11.924  -1.368
  239    HA   ARG  34           HA       ARG  34  -2.141 -13.558  -3.143
  240   1HB   ARG  34          2HB       ARG  34  -2.785 -11.260  -2.267
  241   2HB   ARG  34          1HB       ARG  34  -1.632 -10.591  -3.421
  242   1HG   ARG  34          2HG       ARG  34  -3.003 -12.256  -5.058
  243   2HG   ARG  34          1HG       ARG  34  -4.274 -11.858  -3.902
  244   1HD   ARG  34          2HD       ARG  34  -4.000  -9.499  -4.301
  245   2HD   ARG  34          1HD       ARG  34  -2.552  -9.775  -5.264
  246    HE   ARG  34           HE       ARG  34  -3.916 -10.410  -7.064
  247   1HH1  ARG  34          1HH2      ARG  34  -5.912 -12.191  -6.572
  248   2HH1  ARG  34          2HH2      ARG  34  -7.371 -11.304  -6.285
  249   1HH2  ARG  34          2HH1      ARG  34  -5.741  -8.310  -5.645
  250   2HH2  ARG  34          1HH1      ARG  34  -7.274  -9.107  -5.761
  251    H    PHE  35           H        PHE  35   0.705 -11.480  -3.539
  252    HA   PHE  35           HA       PHE  35   0.992 -11.632  -6.315
  253   1HB   PHE  35          2HB       PHE  35   2.910 -11.207  -4.050
  254   2HB   PHE  35          1HB       PHE  35   3.537 -11.426  -5.682
  255    HD1  PHE  35           HD2      PHE  35   0.418  -9.712  -4.461
  256    HD2  PHE  35           HD1      PHE  35   4.210  -9.308  -6.453
  257    HE1  PHE  35           HE2      PHE  35  -0.104  -7.347  -4.987
  258    HE2  PHE  35           HE1      PHE  35   3.679  -6.947  -6.966
  259    HZ   PHE  35           HZ       PHE  35   1.528  -5.966  -6.242
  260    H    GLU  36           H        GLU  36   1.553 -14.053  -3.889
  261    HA   GLU  36           HA       GLU  36   3.309 -15.682  -5.497
  262   1HB   GLU  36          2HB       GLU  36   1.912 -15.999  -2.868
  263   2HB   GLU  36          1HB       GLU  36   2.537 -17.432  -3.688
  264   1HG   GLU  36          2HG       GLU  36   4.681 -15.829  -3.960
  265   2HG   GLU  36          1HG       GLU  36   4.014 -15.147  -2.476
  266    H    ASP  37           H        ASP  37  -0.109 -15.888  -4.489
  267    HA   ASP  37           HA       ASP  37  -0.754 -18.240  -5.888
  268   1HB   ASP  37          2HB       ASP  37  -2.132 -16.634  -4.201
  269   2HB   ASP  37          1HB       ASP  37  -2.854 -16.148  -5.735
  270    H    ILE  38           H        ILE  38  -1.724 -14.943  -6.835
  271    HA   ILE  38           HA       ILE  38  -2.240 -15.673  -9.545
  272    HB   ILE  38           HB       ILE  38  -3.299 -13.734  -8.367
  273   1HG1  ILE  38          2HG1      ILE  38  -1.772 -12.701 -10.751
  274   2HG1  ILE  38          1HG1      ILE  38  -2.991 -13.963 -10.931
  275   1HG2  ILE  38          1HG2      ILE  38  -0.812 -13.093  -7.519
  276   2HG2  ILE  38          3HG2      ILE  38  -0.944 -12.010  -8.905
  277   3HG2  ILE  38          2HG2      ILE  38  -2.132 -11.926  -7.603
  278   1HD1  ILE  38          3HD1      ILE  38  -4.389 -12.235  -9.408
  279   2HD1  ILE  38          2HD1      ILE  38  -3.328 -11.091 -10.229
  280   3HD1  ILE  38          1HD1      ILE  38  -4.378 -12.151 -11.170
  281    H    GLY  39           H        GLY  39  -1.033 -14.569 -11.409
  282   1HA   GLY  39          2HA       GLY  39   1.771 -15.215 -11.199
  283   2HA   GLY  39          1HA       GLY  39   0.929 -14.662 -12.644
  284    H    TYR  40           H        TYR  40   2.264 -13.597  -9.567
  285    HA   TYR  40           HA       TYR  40   3.064 -11.053 -10.782
  286   1HB   TYR  40          2HB       TYR  40   1.142 -11.396  -8.528
  287   2HB   TYR  40          1HB       TYR  40   2.336 -10.109  -8.377
  288    HD1  TYR  40           HD1      TYR  40  -0.181 -11.513 -10.769
  289    HD2  TYR  40           HD2      TYR  40   1.990  -8.053  -9.446
  290    HE1  TYR  40           HE1      TYR  40  -1.509 -10.093 -12.306
  291    HE2  TYR  40           HE2      TYR  40   0.661  -6.632 -10.983
  292    HH   TYR  40           HH       TYR  40  -0.734  -7.343 -13.397
  293    H    ASP  41           H        ASP  41   4.669 -13.244 -10.281
  294    HA   ASP  41           HA       ASP  41   5.883 -13.343  -7.749
  295   1HB   ASP  41          2HB       ASP  41   7.887 -14.261  -9.026
  296   2HB   ASP  41          1HB       ASP  41   6.367 -15.124  -9.233
  297    H    SER  42           H        SER  42   6.883 -11.548 -10.662
  298    HA   SER  42           HA       SER  42   7.692  -9.228  -9.331
  299   1HB   SER  42          2HB       SER  42   9.448 -10.449  -8.241
  300   2HB   SER  42          1HB       SER  42   9.919 -11.234  -9.746
  301    HG   SER  42           HG       SER  42  10.951  -9.481 -10.337
  302    H    LEU  43           H        LEU  43   9.131 -11.331 -11.833
  303    HA   LEU  43           HA       LEU  43   9.824  -9.328 -13.649
  304   1HB   LEU  43          2HB       LEU  43   9.186 -12.243 -13.942
  305   2HB   LEU  43          1HB       LEU  43   9.440 -11.254 -15.380
  306    HG   LEU  43           HG       LEU  43  11.388 -11.390 -13.063
  307   1HD1  LEU  43          1HD1      LEU  43  10.932 -13.514 -14.588
  308   2HD1  LEU  43          3HD1      LEU  43  11.919 -12.618 -15.743
  309   3HD1  LEU  43          2HD1      LEU  43  12.579 -13.048 -14.165
  310   1HD2  LEU  43          2HD2      LEU  43  11.358 -10.090 -15.784
  311   2HD2  LEU  43          1HD2      LEU  43  11.767  -9.374 -14.224
  312   3HD2  LEU  43          3HD2      LEU  43  12.886 -10.495 -14.999
  313    H    ALA  44           H        ALA  44   6.741 -10.875 -13.056
  314    HA   ALA  44           HA       ALA  44   5.449  -9.934 -15.432
  315   1HB   ALA  44          2HB       ALA  44   4.484 -11.080 -12.824
  316   2HB   ALA  44          1HB       ALA  44   3.341 -10.399 -13.983
  317   3HB   ALA  44          3HB       ALA  44   4.362 -11.761 -14.447
  318    H    LEU  45           H        LEU  45   5.491  -8.844 -12.044
  319    HA   LEU  45           HA       LEU  45   4.016  -6.429 -12.766
  320   1HB   LEU  45          2HB       LEU  45   3.941  -5.980 -10.386
  321   2HB   LEU  45          1HB       LEU  45   3.479  -7.647 -10.699
  322    HG   LEU  45           HG       LEU  45   6.253  -7.776 -10.360
  323   1HD1  LEU  45          1HD1      LEU  45   5.920  -5.387  -9.421
  324   2HD1  LEU  45          3HD1      LEU  45   5.122  -6.183  -8.065
  325   3HD1  LEU  45          2HD1      LEU  45   6.810  -6.539  -8.424
  326   1HD2  LEU  45          2HD2      LEU  45   3.829  -8.472  -8.748
  327   2HD2  LEU  45          1HD2      LEU  45   5.063  -9.533  -9.429
  328   3HD2  LEU  45          3HD2      LEU  45   5.406  -8.604  -7.970
  329    H    MET  46           H        MET  46   7.060  -7.173 -13.300
  330    HA   MET  46           HA       MET  46   8.468  -5.016 -12.015
  331   1HB   MET  46          2HB       MET  46   9.356  -7.306 -13.051
  332   2HB   MET  46          1HB       MET  46   9.545  -6.295 -14.483
  333   1HG   MET  46          2HG       MET  46  11.113  -4.908 -13.468
  334   2HG   MET  46          1HG       MET  46  10.530  -5.270 -11.843
  335   1HE   MET  46          2HE       MET  46  12.881  -5.050 -11.525
  336   2HE   MET  46          1HE       MET  46  12.845  -6.459 -10.468
  337   3HE   MET  46          3HE       MET  46  14.103  -6.308 -11.703
  338    H    GLU  47           H        GLU  47   7.453  -5.686 -15.364
  339    HA   GLU  47           HA       GLU  47   8.211  -3.096 -16.321
  340   1HB   GLU  47          2HB       GLU  47   7.381  -5.541 -17.473
  341   2HB   GLU  47          1HB       GLU  47   6.184  -4.346 -17.969
  342   1HG   GLU  47          2HG       GLU  47   9.183  -3.986 -18.240
  343   2HG   GLU  47          1HG       GLU  47   8.112  -4.489 -19.548
  344    H    THR  48           H        THR  48   5.139  -4.600 -15.380
  345    HA   THR  48           HA       THR  48   3.439  -2.457 -16.057
  346    HB   THR  48           HB       THR  48   3.059  -4.388 -13.757
  347    HG1  THR  48           HG1      THR  48   3.094  -5.799 -15.303
  348   1HG2  THR  48          3HG2      THR  48   1.486  -2.481 -13.849
  349   2HG2  THR  48          2HG2      THR  48   1.094  -2.894 -15.518
  350   3HG2  THR  48          1HG2      THR  48   0.675  -4.004 -14.213
  351    H    ALA  49           H        ALA  49   5.070  -3.255 -13.003
  352    HA   ALA  49           HA       ALA  49   4.060  -1.125 -11.470
  353   1HB   ALA  49          1HB       ALA  49   6.659  -2.656 -11.276
  354   2HB   ALA  49          3HB       ALA  49   6.148  -1.461 -10.084
  355   3HB   ALA  49          2HB       ALA  49   5.185  -2.916 -10.343
  356    H    ALA  50           H        ALA  50   6.856  -1.351 -13.613
  357    HA   ALA  50           HA       ALA  50   8.022   1.146 -12.985
  358   1HB   ALA  50          2HB       ALA  50   8.095  -0.443 -15.560
  359   2HB   ALA  50          1HB       ALA  50   9.124   0.945 -15.207
  360   3HB   ALA  50          3HB       ALA  50   9.264  -0.526 -14.243
  361    H    ARG  51           H        ARG  51   5.434   0.201 -15.157
  362    HA   ARG  51           HA       ARG  51   5.249   2.621 -16.624
  363   1HB   ARG  51          2HB       ARG  51   4.077   0.244 -16.931
  364   2HB   ARG  51          1HB       ARG  51   2.779   1.054 -16.051
  365   1HG   ARG  51          2HG       ARG  51   2.376   2.559 -17.747
  366   2HG   ARG  51          1HG       ARG  51   4.055   2.557 -18.290
  367   1HD   ARG  51          2HD       ARG  51   3.174   1.315 -20.000
  368   2HD   ARG  51          1HD       ARG  51   3.429   0.004 -18.854
  369    HE   ARG  51           HE       ARG  51   1.041   0.221 -18.258
  370   1HH1  ARG  51          1HH2      ARG  51   0.013   2.656 -19.287
  371   2HH1  ARG  51          2HH2      ARG  51  -0.577   2.285 -20.873
  372   1HH2  ARG  51          2HH1      ARG  51   1.212  -0.674 -21.136
  373   2HH2  ARG  51          1HH1      ARG  51   0.102   0.400 -21.920
  374    H    LEU  52           H        LEU  52   3.413   1.430 -13.813
  375    HA   LEU  52           HA       LEU  52   2.062   3.953 -13.450
  376   1HB   LEU  52          2HB       LEU  52   2.224   1.559 -11.607
  377   2HB   LEU  52          1HB       LEU  52   1.102   2.913 -11.456
  378    HG   LEU  52           HG       LEU  52   1.218   1.409 -14.047
  379   1HD1  LEU  52          3HD1      LEU  52   0.993  -0.144 -11.939
  380   2HD1  LEU  52          2HD1      LEU  52  -0.636   0.525 -11.852
  381   3HD1  LEU  52          1HD1      LEU  52  -0.118  -0.353 -13.292
  382   1HD2  LEU  52          3HD2      LEU  52  -0.168   3.576 -13.307
  383   2HD2  LEU  52          2HD2      LEU  52  -0.854   2.371 -14.397
  384   3HD2  LEU  52          1HD2      LEU  52  -1.269   2.349 -12.683
  385    H    GLU  53           H        GLU  53   5.187   2.950 -12.714
  386    HA   GLU  53           HA       GLU  53   5.450   4.196 -10.135
  387   1HB   GLU  53          2HB       GLU  53   6.940   2.351 -10.939
  388   2HB   GLU  53          1HB       GLU  53   7.633   3.478 -12.103
  389   1HG   GLU  53          2HG       GLU  53   8.896   4.501 -10.526
  390   2HG   GLU  53          1HG       GLU  53   7.558   4.570  -9.380
  391    H    SER  54           H        SER  54   5.765   5.199 -13.470
  392    HA   SER  54           HA       SER  54   7.009   7.737 -12.705
  393   1HB   SER  54          2HB       SER  54   6.102   7.124 -15.490
  394   2HB   SER  54          1HB       SER  54   7.490   8.062 -14.947
  395    HG   SER  54           HG       SER  54   8.379   6.182 -15.535
  396    H    ARG  55           H        ARG  55   3.934   6.426 -13.745
  397    HA   ARG  55           HA       ARG  55   2.687   8.909 -14.379
  398   1HB   ARG  55          2HB       ARG  55   1.882   6.601 -15.071
  399   2HB   ARG  55          1HB       ARG  55   1.280   6.413 -13.423
  400   1HG   ARG  55          2HG       ARG  55  -0.606   7.306 -14.417
  401   2HG   ARG  55          1HG       ARG  55   0.200   8.795 -13.926
  402   1HD   ARG  55          2HD       ARG  55   0.007   9.392 -16.103
  403   2HD   ARG  55          1HD       ARG  55   1.366   8.305 -16.369
  404    HE   ARG  55           HE       ARG  55  -0.273   6.581 -16.988
  405   1HH1  ARG  55          2HH1      ARG  55  -2.106   9.167 -15.901
  406   2HH1  ARG  55          1HH1      ARG  55  -3.157   9.248 -17.275
  407   1HH2  ARG  55          1HH2      ARG  55  -1.320   6.980 -19.147
  408   2HH2  ARG  55          2HH2      ARG  55  -2.713   8.011 -19.113
  409    H    TYR  56           H        TYR  56   2.445   6.791 -11.516
  410    HA   TYR  56           HA       TYR  56   1.041   8.861 -10.031
  411   1HB   TYR  56          2HB       TYR  56   1.755   6.002  -9.558
  412   2HB   TYR  56          1HB       TYR  56   1.464   7.027  -8.153
  413    HD1  TYR  56           HD2      TYR  56  -0.042   6.571 -11.568
  414    HD2  TYR  56           HD1      TYR  56  -0.714   6.983  -7.344
  415    HE1  TYR  56           HE2      TYR  56  -2.487   6.386 -11.939
  416    HE2  TYR  56           HE1      TYR  56  -3.159   6.799  -7.716
  417    HH   TYR  56           HH       TYR  56  -4.565   7.004 -10.829
  418    H    GLY  57           H        GLY  57   4.257   7.467 -10.212
  419   1HA   GLY  57          2HA       GLY  57   6.273   8.244  -9.382
  420   2HA   GLY  57          1HA       GLY  57   5.438   9.714  -8.892
  421    H    VAL  58           H        VAL  58   6.425   6.512  -7.932
  422    HA   VAL  58           HA       VAL  58   5.401   6.986  -5.224
  423    HB   VAL  58           HB       VAL  58   4.659   4.877  -5.875
  424   1HG1  VAL  58          3HG1      VAL  58   7.164   4.757  -7.437
  425   2HG1  VAL  58          2HG1      VAL  58   6.618   3.219  -6.771
  426   3HG1  VAL  58          1HG1      VAL  58   5.554   4.152  -7.823
  427   1HG2  VAL  58          3HG2      VAL  58   6.435   5.004  -3.798
  428   2HG2  VAL  58          2HG2      VAL  58   5.446   3.595  -4.185
  429   3HG2  VAL  58          1HG2      VAL  58   7.112   3.687  -4.757
  430    H    SER  59           H        SER  59   8.240   4.951  -5.819
  431    HA   SER  59           HA       SER  59   9.806   6.878  -4.228
  432   1HB   SER  59          2HB       SER  59  10.622   4.018  -4.559
  433   2HB   SER  59          1HB       SER  59  10.929   5.120  -3.220
  434    HG   SER  59           HG       SER  59   8.958   4.750  -2.447
  435    H    ILE  60           H        ILE  60  12.288   6.362  -4.628
  436    HA   ILE  60           HA       ILE  60  12.735   7.008  -7.419
  437    HB   ILE  60           HB       ILE  60  14.821   6.683  -5.256
  438   1HG1  ILE  60          2HG1      ILE  60  14.507   9.358  -5.535
  439   2HG1  ILE  60          1HG1      ILE  60  12.848   8.833  -5.824
  440   1HG2  ILE  60          2HG2      ILE  60  15.404   6.751  -7.776
  441   2HG2  ILE  60          1HG2      ILE  60  14.898   8.439  -7.704
  442   3HG2  ILE  60          3HG2      ILE  60  16.243   7.877  -6.711
  443   1HD1  ILE  60          3HD1      ILE  60  14.239   7.565  -3.525
  444   2HD1  ILE  60          2HD1      ILE  60  13.834   9.272  -3.345
  445   3HD1  ILE  60          1HD1      ILE  60  12.563   8.094  -3.675
  446    HA   PRO  61           HA       PRO  61  15.141   2.896  -7.335
  447   1HB   PRO  61          2HB       PRO  61  14.771   1.172  -5.248
  448   2HB   PRO  61          1HB       PRO  61  16.022   2.425  -5.277
  449   1HG   PRO  61          2HG       PRO  61  13.486   2.335  -3.750
  450   2HG   PRO  61          1HG       PRO  61  14.998   3.175  -3.379
  451   1HD   PRO  61          2HD       PRO  61  12.647   4.340  -4.452
  452   2HD   PRO  61          1HD       PRO  61  14.246   5.104  -4.328
  453    H    ASP  62           H        ASP  62  14.455   1.146  -8.509
  454    HA   ASP  62           HA       ASP  62  11.574   0.550  -8.442
  455   1HB   ASP  62          2HB       ASP  62  13.718   0.243 -10.524
  456   2HB   ASP  62          1HB       ASP  62  12.231  -0.700 -10.631
  457    H    ASP  63           H        ASP  63  14.715  -0.873  -7.900
  458    HA   ASP  63           HA       ASP  63  14.098  -3.598  -8.083
  459   1HB   ASP  63          2HB       ASP  63  15.981  -3.922  -6.471
  460   2HB   ASP  63          1HB       ASP  63  16.394  -2.878  -7.833
  461    H    VAL  64           H        VAL  64  13.519  -1.272  -5.508
  462    HA   VAL  64           HA       VAL  64  12.815  -3.167  -3.504
  463    HB   VAL  64           HB       VAL  64  13.432  -0.833  -2.979
  464   1HG1  VAL  64          1HG1      VAL  64  12.234   0.174  -4.948
  465   2HG1  VAL  64          3HG1      VAL  64  10.715  -0.091  -4.089
  466   3HG1  VAL  64          2HG1      VAL  64  11.927   1.002  -3.422
  467   1HG2  VAL  64          2HG2      VAL  64  11.892  -2.293  -1.515
  468   2HG2  VAL  64          1HG2      VAL  64  11.893  -0.559  -1.193
  469   3HG2  VAL  64          3HG2      VAL  64  10.575  -1.284  -2.113
  470    H    ALA  65           H        ALA  65  10.928  -1.299  -5.852
  471    HA   ALA  65           HA       ALA  65   8.471  -2.674  -5.042
  472   1HB   ALA  65          2HB       ALA  65   8.623  -0.174  -5.645
  473   2HB   ALA  65          1HB       ALA  65   8.721  -0.718  -7.319
  474   3HB   ALA  65          3HB       ALA  65   7.300  -1.103  -6.348
  475    H    GLY  66           H        GLY  66  10.975  -3.679  -6.806
  476   1HA   GLY  66          2HA       GLY  66   9.409  -4.721  -9.070
  477   2HA   GLY  66          1HA       GLY  66  11.168  -4.730  -8.940
  478    H    ARG  67           H        ARG  67  11.257  -5.682  -6.232
  479    HA   ARG  67           HA       ARG  67  10.583  -8.510  -6.729
  480   1HB   ARG  67          2HB       ARG  67  12.710  -7.118  -5.168
  481   2HB   ARG  67          1HB       ARG  67  12.137  -8.676  -4.571
  482   1HG   ARG  67          2HG       ARG  67  12.429  -9.421  -7.079
  483   2HG   ARG  67          1HG       ARG  67  13.516  -8.035  -7.161
  484   1HD   ARG  67          2HD       ARG  67  13.971  -9.660  -4.770
  485   2HD   ARG  67          1HD       ARG  67  14.180 -10.580  -6.256
  486    HE   ARG  67           HE       ARG  67  15.596  -8.016  -5.798
  487   1HH1  ARG  67          1HH2      ARG  67  15.737  -9.753  -8.372
  488   2HH1  ARG  67          2HH2      ARG  67  17.271 -10.524  -8.150
  489   1HH2  ARG  67          2HH1      ARG  67  17.491  -9.711  -4.786
  490   2HH2  ARG  67          1HH1      ARG  67  18.264 -10.499  -6.119
  491    H    VAL  68           H        VAL  68   8.633  -6.509  -5.866
  492    HA   VAL  68           HA       VAL  68   8.129  -6.723  -3.082
  493    HB   VAL  68           HB       VAL  68   7.153  -4.951  -4.505
  494   1HG1  VAL  68          2HG1      VAL  68   6.712  -6.605  -6.430
  495   2HG1  VAL  68          1HG1      VAL  68   5.236  -7.026  -5.563
  496   3HG1  VAL  68          3HG1      VAL  68   5.484  -5.374  -6.129
  497   1HG2  VAL  68          1HG2      VAL  68   5.596  -6.688  -2.698
  498   2HG2  VAL  68          3HG2      VAL  68   5.810  -4.939  -2.672
  499   3HG2  VAL  68          2HG2      VAL  68   4.613  -5.665  -3.745
  500    H    ASP  69           H        ASP  69   7.695  -8.543  -2.037
  501    HA   ASP  69           HA       ASP  69   6.502 -10.808  -3.444
  502   1HB   ASP  69          2HB       ASP  69   7.679 -10.493  -0.678
  503   2HB   ASP  69          1HB       ASP  69   6.899 -11.975  -1.229
  504    H    THR  70           H        THR  70   5.799  -8.645  -0.732
  505    HA   THR  70           HA       THR  70   3.208  -9.903  -0.287
  506    HB   THR  70           HB       THR  70   3.065  -7.798   1.327
  507    HG1  THR  70           HG1      THR  70   5.172  -7.243   1.995
  508   1HG2  THR  70          2HG2      THR  70   3.291 -10.301   1.846
  509   2HG2  THR  70          1HG2      THR  70   5.024 -10.001   1.976
  510   3HG2  THR  70          3HG2      THR  70   3.903  -9.183   3.064
  511    HA   PRO  71           HA       PRO  71   1.092  -7.043  -2.932
  512   1HB   PRO  71          2HB       PRO  71  -1.451  -7.378  -2.008
  513   2HB   PRO  71          1HB       PRO  71  -0.608  -8.570  -3.005
  514   1HG   PRO  71          2HG       PRO  71  -1.217  -8.639  -0.107
  515   2HG   PRO  71          1HG       PRO  71  -0.987  -9.975  -1.243
  516   1HD   PRO  71          2HD       PRO  71   0.912  -9.021   0.630
  517   2HD   PRO  71          1HD       PRO  71   1.225 -10.156  -0.703
  518    H    ARG  72           H        ARG  72   0.051  -6.883   0.479
  519    HA   ARG  72           HA       ARG  72  -0.985  -4.279   0.468
  520   1HB   ARG  72          2HB       ARG  72  -1.337  -5.830   2.338
  521   2HB   ARG  72          1HB       ARG  72   0.379  -5.771   2.728
  522   1HG   ARG  72          2HG       ARG  72  -0.769  -4.266   4.233
  523   2HG   ARG  72          1HG       ARG  72   0.137  -3.284   3.084
  524   1HD   ARG  72          2HD       ARG  72  -2.076  -2.336   3.301
  525   2HD   ARG  72          1HD       ARG  72  -1.952  -3.076   1.710
  526    HE   ARG  72           HE       ARG  72  -3.735  -4.391   2.347
  527   1HH1  ARG  72          2HH1      ARG  72  -3.457  -2.609   5.038
  528   2HH1  ARG  72          1HH1      ARG  72  -3.763  -3.861   6.195
  529   1HH2  ARG  72          1HH2      ARG  72  -3.446  -6.433   3.890
  530   2HH2  ARG  72          2HH2      ARG  72  -3.756  -6.027   5.545
  531    H    GLU  73           H        GLU  73   2.310  -5.407   0.423
  532    HA   GLU  73           HA       GLU  73   3.605  -3.136   1.488
  533   1HB   GLU  73          2HB       GLU  73   4.622  -5.425   0.931
  534   2HB   GLU  73          1HB       GLU  73   4.735  -4.839  -0.729
  535   1HG   GLU  73          2HG       GLU  73   6.144  -3.002  -0.067
  536   2HG   GLU  73          1HG       GLU  73   5.871  -3.338   1.643
  537    H    LEU  74           H        LEU  74   2.593  -3.972  -1.802
  538    HA   LEU  74           HA       LEU  74   3.745  -1.829  -3.183
  539   1HB   LEU  74          2HB       LEU  74   2.240  -3.954  -3.925
  540   2HB   LEU  74          1HB       LEU  74   1.044  -2.665  -4.070
  541    HG   LEU  74           HG       LEU  74   2.740  -1.366  -5.423
  542   1HD1  LEU  74          2HD1      LEU  74   4.211  -3.976  -5.065
  543   2HD1  LEU  74          1HD1      LEU  74   4.511  -2.949  -6.467
  544   3HD1  LEU  74          3HD1      LEU  74   4.815  -2.333  -4.841
  545   1HD2  LEU  74          3HD2      LEU  74   0.886  -3.056  -6.272
  546   2HD2  LEU  74          2HD2      LEU  74   2.058  -2.385  -7.405
  547   3HD2  LEU  74          1HD2      LEU  74   2.283  -4.013  -6.765
  548    H    LEU  75           H        LEU  75   0.429  -2.075  -1.848
  549    HA   LEU  75           HA       LEU  75  -0.491   0.474  -2.485
  550   1HB   LEU  75          2HB       LEU  75  -1.906  -1.307  -1.504
  551   2HB   LEU  75          1HB       LEU  75  -1.084  -1.099   0.041
  552    HG   LEU  75           HG       LEU  75  -1.803   1.358  -0.070
  553   1HD1  LEU  75          1HD1      LEU  75  -2.333   1.356  -2.489
  554   2HD1  LEU  75          3HD1      LEU  75  -3.651   0.222  -2.187
  555   3HD1  LEU  75          2HD1      LEU  75  -3.719   1.853  -1.518
  556   1HD2  LEU  75          3HD2      LEU  75  -2.954  -0.734   1.113
  557   2HD2  LEU  75          2HD2      LEU  75  -3.715   0.857   1.126
  558   3HD2  LEU  75          1HD2      LEU  75  -4.245  -0.365  -0.031
  559    H    ASP  76           H        ASP  76   0.866  -0.493   0.679
  560    HA   ASP  76           HA       ASP  76   1.010   2.052   1.802
  561   1HB   ASP  76          2HB       ASP  76   1.391  -0.199   2.942
  562   2HB   ASP  76          1HB       ASP  76   3.046  -0.104   2.343
  563    H    LEU  77           H        LEU  77   3.039   0.631  -0.629
  564    HA   LEU  77           HA       LEU  77   5.363   2.217  -0.196
  565   1HB   LEU  77          2HB       LEU  77   4.895   0.073  -1.734
  566   2HB   LEU  77          1HB       LEU  77   4.703   1.330  -2.955
  567    HG   LEU  77           HG       LEU  77   6.935   2.264  -1.865
  568   1HD1  LEU  77          3HD1      LEU  77   6.730   0.264  -0.178
  569   2HD1  LEU  77          2HD1      LEU  77   7.412  -0.683  -1.501
  570   3HD1  LEU  77          1HD1      LEU  77   8.313   0.680  -0.835
  571   1HD2  LEU  77          3HD2      LEU  77   6.444   0.168  -3.934
  572   2HD2  LEU  77          2HD2      LEU  77   7.155   1.773  -4.108
  573   3HD2  LEU  77          1HD2      LEU  77   8.118   0.448  -3.451
  574    H    ILE  78           H        ILE  78   3.014   2.431  -2.876
  575    HA   ILE  78           HA       ILE  78   3.815   4.954  -3.802
  576    HB   ILE  78           HB       ILE  78   1.049   3.723  -3.942
  577   1HG1  ILE  78          2HG1      ILE  78   2.958   3.595  -6.220
  578   2HG1  ILE  78          1HG1      ILE  78   3.328   2.561  -4.840
  579   1HG2  ILE  78          3HG2      ILE  78   2.435   5.887  -5.544
  580   2HG2  ILE  78          2HG2      ILE  78   0.951   5.089  -6.065
  581   3HG2  ILE  78          1HG2      ILE  78   0.965   6.045  -4.583
  582   1HD1  ILE  78          3HD1      ILE  78   0.502   2.598  -5.786
  583   2HD1  ILE  78          2HD1      ILE  78   1.681   1.768  -6.802
  584   3HD1  ILE  78          1HD1      ILE  78   1.450   1.264  -5.128
  585    H    ASN  79           H        ASN  79   1.550   4.038  -1.319
  586    HA   ASN  79           HA       ASN  79   0.182   6.414  -0.865
  587   1HB   ASN  79          2HB       ASN  79   0.089   3.971   0.255
  588   2HB   ASN  79          1HB       ASN  79   0.972   4.826   1.519
  589   1HD2  ASN  79          2HD2      ASN  79  -2.928   5.249   1.513
  590   2HD2  ASN  79          1HD2      ASN  79  -2.062   3.913   0.923
  591    H    GLY  80           H        GLY  80   3.000   5.225   0.981
  592   1HA   GLY  80          2HA       GLY  80   3.447   7.559   2.461
  593   2HA   GLY  80          1HA       GLY  80   4.668   6.340   2.113
  594    H    ALA  81           H        ALA  81   4.425   6.691  -0.793
  595    HA   ALA  81           HA       ALA  81   6.417   8.676  -1.151
  596   1HB   ALA  81          1HB       ALA  81   4.659   7.172  -3.086
  597   2HB   ALA  81          3HB       ALA  81   5.845   8.362  -3.622
  598   3HB   ALA  81          2HB       ALA  81   6.373   6.924  -2.747
  599    H    LEU  82           H        LEU  82   2.916   8.689  -1.551
  600    HA   LEU  82           HA       LEU  82   2.800  11.267  -2.807
  601   1HB   LEU  82          2HB       LEU  82   0.824   9.333  -1.699
  602   2HB   LEU  82          1HB       LEU  82   0.319  11.015  -1.852
  603    HG   LEU  82           HG       LEU  82   1.708   9.675  -4.153
  604   1HD1  LEU  82          1HD1      LEU  82  -0.322   8.315  -3.200
  605   2HD1  LEU  82          3HD1      LEU  82  -1.288   9.617  -3.893
  606   3HD1  LEU  82          2HD1      LEU  82  -0.245   8.643  -4.931
  607   1HD2  LEU  82          2HD2      LEU  82   1.103  12.183  -3.952
  608   2HD2  LEU  82          1HD2      LEU  82   0.619  11.350  -5.430
  609   3HD2  LEU  82          3HD2      LEU  82  -0.569  11.661  -4.164
  610    H    ALA  83           H        ALA  83   2.594  10.069   0.498
  611    HA   ALA  83           HA       ALA  83   1.696  12.462   1.717
  612   1HB   ALA  83          3HB       ALA  83   3.350  10.183   2.826
  613   2HB   ALA  83          2HB       ALA  83   2.675  11.486   3.804
  614   3HB   ALA  83          1HB       ALA  83   1.602  10.380   2.947
  615    H    GLU  84           H        GLU  84   4.860  11.287   0.766
  616    HA   GLU  84           HA       GLU  84   6.126  13.694   1.904
  617   1HB   GLU  84          2HB       GLU  84   7.373  11.173   0.782
  618   2HB   GLU  84          1HB       GLU  84   8.258  12.528   1.482
  619   1HG   GLU  84          2HG       GLU  84   7.663  11.987   3.628
  620   2HG   GLU  84          1HG       GLU  84   6.074  11.392   3.147
  621    H    ALA  85           H        ALA  85   4.442  13.787  -0.465
  622    HA   ALA  85           HA       ALA  85   6.264  14.080  -2.718
  623   1HB   ALA  85          2HB       ALA  85   3.296  14.329  -2.347
  624   2HB   ALA  85          1HB       ALA  85   4.066  15.014  -3.778
  625   3HB   ALA  85          3HB       ALA  85   4.196  13.286  -3.448
  626    H    ALA  86           HN       ALA  86   4.305  16.128  -0.596
  627    HA   ALA  86           HA       ALA  86   5.713  18.493  -1.686
  628   1HB   ALA  86          1HB       ALA  86   2.937  18.141  -0.585
  629   2HB   ALA  86          3HB       ALA  86   3.719  19.722  -0.557
  630   3HB   ALA  86          2HB       ALA  86   3.443  18.901  -2.094
   
  No H/Q in entry =         630
  Start of MODEL    8
    1   1H    MET   1          3H        MET   1 -12.401  15.332  -6.486
    2   2H    MET   1          2H        MET   1 -13.388  15.634  -7.836
    3   3H    MET   1          1H        MET   1 -12.498  14.190  -7.736
    4    HA   MET   1           HA       MET   1 -11.242  15.452  -9.195
    5   1HB   MET   1          2HB       MET   1 -12.173  17.695  -7.437
    6   2HB   MET   1          1HB       MET   1 -10.678  17.899  -8.350
    7   1HG   MET   1          2HG       MET   1 -11.972  17.163 -10.411
    8   2HG   MET   1          1HG       MET   1 -13.438  17.305  -9.441
    9   1HE   MET   1          2HE       MET   1 -14.436  18.569 -10.886
   10   2HE   MET   1          1HE       MET   1 -14.810  19.872  -9.762
   11   3HE   MET   1          3HE       MET   1 -14.151  20.241 -11.362
   12    H    ALA   2           H        ALA   2 -10.694  13.791  -6.905
   13    HA   ALA   2           HA       ALA   2  -8.034  14.857  -6.173
   14   1HB   ALA   2          1HB       ALA   2 -10.086  13.543  -4.401
   15   2HB   ALA   2          3HB       ALA   2  -8.370  13.530  -3.993
   16   3HB   ALA   2          2HB       ALA   2  -9.228  15.063  -4.149
   17    H    THR   3           H        THR   3  -6.542  13.108  -5.425
   18    HA   THR   3           HA       THR   3  -7.110  10.490  -6.655
   19    HB   THR   3           HB       THR   3  -4.489  11.943  -7.056
   20    HG1  THR   3           HG1      THR   3  -5.819  13.070  -8.312
   21   1HG2  THR   3          1HG2      THR   3  -4.435   9.472  -7.154
   22   2HG2  THR   3          3HG2      THR   3  -5.713   9.499  -8.369
   23   3HG2  THR   3          2HG2      THR   3  -4.131  10.187  -8.737
   24    H    LEU   4           H        LEU   4  -6.264   8.772  -5.561
   25    HA   LEU   4           HA       LEU   4  -4.176   9.150  -3.580
   26   1HB   LEU   4          2HB       LEU   4  -5.529   8.242  -1.715
   27   2HB   LEU   4          1HB       LEU   4  -6.124   9.806  -2.268
   28    HG   LEU   4           HG       LEU   4  -7.268   7.321  -3.495
   29   1HD1  LEU   4          1HD1      LEU   4  -7.218   7.096  -0.941
   30   2HD1  LEU   4          3HD1      LEU   4  -8.314   8.477  -0.903
   31   3HD1  LEU   4          2HD1      LEU   4  -8.804   6.984  -1.703
   32   1HD2  LEU   4          2HD2      LEU   4  -7.721   9.993  -3.856
   33   2HD2  LEU   4          1HD2      LEU   4  -8.922   8.743  -4.174
   34   3HD2  LEU   4          3HD2      LEU   4  -8.940   9.615  -2.642
   35    H    LEU   5           H        LEU   5  -3.363   7.175  -2.738
   36    HA   LEU   5           HA       LEU   5  -3.895   4.882  -4.510
   37   1HB   LEU   5          2HB       LEU   5  -1.541   5.780  -2.879
   38   2HB   LEU   5          1HB       LEU   5  -1.715   4.073  -3.270
   39    HG   LEU   5           HG       LEU   5  -0.326   5.499  -4.899
   40   1HD1  LEU   5          2HD1      LEU   5  -1.366   3.225  -5.348
   41   2HD1  LEU   5          1HD1      LEU   5  -2.685   4.082  -6.146
   42   3HD1  LEU   5          3HD1      LEU   5  -1.042   4.213  -6.774
   43   1HD2  LEU   5          2HD2      LEU   5  -2.180   7.339  -4.872
   44   2HD2  LEU   5          1HD2      LEU   5  -1.405   6.952  -6.409
   45   3HD2  LEU   5          3HD2      LEU   5  -3.002   6.302  -6.038
   46    H    THR   6           H        THR   6  -5.836   4.295  -3.408
   47    HA   THR   6           HA       THR   6  -5.571   3.411  -0.625
   48    HB   THR   6           HB       THR   6  -8.101   2.950  -2.105
   49    HG1  THR   6           HG1      THR   6  -8.312   4.933  -2.690
   50   1HG2  THR   6          2HG2      THR   6  -7.225   3.098   0.574
   51   2HG2  THR   6          1HG2      THR   6  -8.228   4.525   0.317
   52   3HG2  THR   6          3HG2      THR   6  -8.884   2.920   0.004
   53    H    THR   7           H        THR   7  -6.869   1.297  -0.193
   54    HA   THR   7           HA       THR   7  -5.414  -0.857  -1.261
   55    HB   THR   7           HB       THR   7  -8.158  -1.007   0.009
   56    HG1  THR   7           HG1      THR   7  -6.846  -1.310   1.929
   57   1HG2  THR   7          3HG2      THR   7  -7.142  -3.046  -1.130
   58   2HG2  THR   7          2HG2      THR   7  -5.874  -2.981   0.093
   59   3HG2  THR   7          1HG2      THR   7  -7.551  -3.244   0.574
   60    H    ASP   8           H        ASP   8  -8.605   0.439  -2.042
   61    HA   ASP   8           HA       ASP   8  -9.402  -1.525  -3.900
   62   1HB   ASP   8          2HB       ASP   8 -10.733   0.489  -2.881
   63   2HB   ASP   8          1HB       ASP   8 -10.114   1.366  -4.281
   64    H    ASP   9           H        ASP   9  -7.260   1.231  -4.155
   65    HA   ASP   9           HA       ASP   9  -7.142   1.395  -6.984
   66   1HB   ASP   9          2HB       ASP   9  -6.281   3.119  -5.287
   67   2HB   ASP   9          1HB       ASP   9  -4.857   2.088  -5.140
   68    H    LEU  10           H        LEU  10  -5.012  -0.217  -4.609
   69    HA   LEU  10           HA       LEU  10  -3.274  -1.322  -6.556
   70   1HB   LEU  10          2HB       LEU  10  -2.190  -2.406  -4.806
   71   2HB   LEU  10          1HB       LEU  10  -2.939  -1.049  -3.977
   72    HG   LEU  10           HG       LEU  10  -4.929  -2.893  -3.766
   73   1HD1  LEU  10          1HD1      LEU  10  -2.393  -4.340  -4.277
   74   2HD1  LEU  10          3HD1      LEU  10  -3.349  -4.925  -2.916
   75   3HD1  LEU  10          2HD1      LEU  10  -4.060  -4.861  -4.527
   76   1HD2  LEU  10          2HD2      LEU  10  -3.685  -1.521  -1.984
   77   2HD2  LEU  10          1HD2      LEU  10  -4.291  -3.100  -1.479
   78   3HD2  LEU  10          3HD2      LEU  10  -2.582  -2.890  -1.863
   79    H    ARG  11           H        ARG  11  -6.370  -2.337  -5.351
   80    HA   ARG  11           HA       ARG  11  -6.229  -5.077  -6.090
   81   1HB   ARG  11          2HB       ARG  11  -7.991  -3.681  -4.640
   82   2HB   ARG  11          1HB       ARG  11  -8.847  -3.666  -6.182
   83   1HG   ARG  11          2HG       ARG  11  -8.465  -6.182  -6.281
   84   2HG   ARG  11          1HG       ARG  11  -7.935  -6.079  -4.602
   85   1HD   ARG  11          2HD       ARG  11 -10.221  -6.572  -4.400
   86   2HD   ARG  11          1HD       ARG  11 -10.169  -4.824  -4.197
   87    HE   ARG  11           HE       ARG  11 -10.858  -6.106  -6.782
   88   1HH1  ARG  11          1HH2      ARG  11 -11.198  -3.776  -7.820
   89   2HH1  ARG  11          2HH2      ARG  11 -12.529  -2.941  -7.092
   90   1HH2  ARG  11          2HH1      ARG  11 -12.647  -5.004  -4.308
   91   2HH2  ARG  11          1HH1      ARG  11 -13.349  -3.636  -5.105
   92    H    ARG  12           H        ARG  12  -7.936  -2.369  -7.663
   93    HA   ARG  12           HA       ARG  12  -8.620  -3.769 -10.002
   94   1HB   ARG  12          2HB       ARG  12  -9.173  -1.274  -8.999
   95   2HB   ARG  12          1HB       ARG  12  -8.125  -0.885 -10.363
   96   1HG   ARG  12          2HG       ARG  12 -10.356  -2.869 -10.719
   97   2HG   ARG  12          1HG       ARG  12 -10.708  -1.141 -10.757
   98   1HD   ARG  12          2HD       ARG  12  -8.850  -0.917 -12.472
   99   2HD   ARG  12          1HD       ARG  12  -8.816  -2.675 -12.550
  100    HE   ARG  12           HE       ARG  12 -10.843  -2.622 -13.716
  101   1HH1  ARG  12          2HH1      ARG  12 -12.766  -1.066 -12.408
  102   2HH1  ARG  12          1HH1      ARG  12 -12.826   0.450 -13.243
  103   1HH2  ARG  12          1HH2      ARG  12  -9.755   0.019 -14.794
  104   2HH2  ARG  12          2HH2      ARG  12 -11.120   1.065 -14.593
  105    H    ALA  13           H        ALA  13  -5.677  -2.138  -9.056
  106    HA   ALA  13           HA       ALA  13  -4.548  -1.980 -11.689
  107   1HB   ALA  13          3HB       ALA  13  -3.259  -1.857  -8.954
  108   2HB   ALA  13          2HB       ALA  13  -2.413  -1.550 -10.471
  109   3HB   ALA  13          1HB       ALA  13  -3.729  -0.489  -9.965
  110    H    LEU  14           H        LEU  14  -4.613  -4.385  -9.150
  111    HA   LEU  14           HA       LEU  14  -2.503  -5.998 -10.286
  112   1HB   LEU  14          2HB       LEU  14  -4.393  -6.247  -7.993
  113   2HB   LEU  14          1HB       LEU  14  -3.661  -7.719  -8.628
  114    HG   LEU  14           HG       LEU  14  -1.802  -5.441  -8.249
  115   1HD1  LEU  14          2HD1      LEU  14  -3.584  -5.763  -6.219
  116   2HD1  LEU  14          1HD1      LEU  14  -2.355  -6.937  -5.751
  117   3HD1  LEU  14          3HD1      LEU  14  -1.916  -5.244  -5.979
  118   1HD2  LEU  14          1HD2      LEU  14  -1.841  -8.404  -8.132
  119   2HD2  LEU  14          3HD2      LEU  14  -0.588  -7.318  -8.734
  120   3HD2  LEU  14          2HD2      LEU  14  -0.738  -7.618  -7.003
  121    H    VAL  15           H        VAL  15  -5.984  -5.810 -10.530
  122    HA   VAL  15           HA       VAL  15  -6.329  -8.393 -11.745
  123    HB   VAL  15           HB       VAL  15  -8.190  -6.005 -11.830
  124   1HG1  VAL  15          3HG1      VAL  15  -8.668  -8.984 -12.155
  125   2HG1  VAL  15          2HG1      VAL  15  -9.918  -7.740 -12.166
  126   3HG1  VAL  15          1HG1      VAL  15  -8.712  -7.789 -13.452
  127   1HG2  VAL  15          2HG2      VAL  15  -7.364  -6.980  -9.522
  128   2HG2  VAL  15          1HG2      VAL  15  -9.081  -6.673  -9.776
  129   3HG2  VAL  15          3HG2      VAL  15  -8.447  -8.313  -9.921
  130    H    GLU  16           H        GLU  16  -5.727  -5.127 -12.865
  131    HA   GLU  16           HA       GLU  16  -6.424  -5.437 -15.572
  132   1HB   GLU  16          2HB       GLU  16  -5.306  -3.410 -13.997
  133   2HB   GLU  16          1HB       GLU  16  -4.078  -3.743 -15.217
  134   1HG   GLU  16          2HG       GLU  16  -7.004  -3.212 -15.818
  135   2HG   GLU  16          1HG       GLU  16  -5.716  -2.015 -15.961
  136    H    CYS  17           H        CYS  17  -3.588  -6.414 -13.768
  137    HA   CYS  17           HA       CYS  17  -1.811  -6.869 -15.905
  138   1HB   CYS  17          2HB       CYS  17  -2.067  -8.135 -13.178
  139   2HB   CYS  17          1HB       CYS  17  -0.796  -8.594 -14.313
  140    HG   CYS  17           HG       CYS  17  -0.152  -6.513 -12.641
  141    H    ALA  18           H        ALA  18  -3.828  -9.241 -14.156
  142    HA   ALA  18           HA       ALA  18  -3.563 -11.088 -16.426
  143   1HB   ALA  18          1HB       ALA  18  -4.721 -11.497 -13.657
  144   2HB   ALA  18          3HB       ALA  18  -4.604 -12.743 -14.899
  145   3HB   ALA  18          2HB       ALA  18  -3.138 -12.037 -14.218
  146    H    GLY  19           H        GLY  19  -6.224 -10.233 -14.206
  147   1HA   GLY  19          2HA       GLY  19  -8.428  -9.677 -14.628
  148   2HA   GLY  19          1HA       GLY  19  -7.978  -9.390 -16.307
  149    H    GLU  20           H        GLU  20  -9.018 -11.791 -13.976
  150    HA   GLU  20           HA       GLU  20 -10.208 -13.362 -16.127
  151   1HB   GLU  20          2HB       GLU  20  -9.222 -15.481 -15.255
  152   2HB   GLU  20          1HB       GLU  20  -8.031 -14.396 -15.971
  153   1HG   GLU  20          2HG       GLU  20  -7.537 -13.521 -13.665
  154   2HG   GLU  20          1HG       GLU  20  -8.590 -14.781 -13.021
  155    H    THR  21           H        THR  21 -11.178 -11.728 -13.954
  156    HA   THR  21           HA       THR  21 -13.228 -13.411 -12.967
  157    HB   THR  21           HB       THR  21 -11.599 -14.330 -11.452
  158    HG1  THR  21           HG1      THR  21 -12.599 -13.801  -9.561
  159   1HG2  THR  21          3HG2      THR  21 -10.050 -12.289 -11.745
  160   2HG2  THR  21          2HG2      THR  21 -10.990 -11.553 -10.446
  161   3HG2  THR  21          1HG2      THR  21 -10.096 -13.045 -10.151
  162    H    ASP  22           H        ASP  22 -14.853 -12.029 -13.010
  163    HA   ASP  22           HA       ASP  22 -14.377  -9.210 -12.312
  164   1HB   ASP  22          2HB       ASP  22 -16.490 -10.638 -13.900
  165   2HB   ASP  22          1HB       ASP  22 -16.818  -9.042 -13.224
  166    H    GLY  23           H        GLY  23 -14.578 -11.387 -10.313
  167   1HA   GLY  23          2HA       GLY  23 -16.881 -10.306  -8.802
  168   2HA   GLY  23          1HA       GLY  23 -16.534 -12.033  -8.822
  169    H    THR  24           H        THR  24 -15.787 -12.566  -6.880
  170    HA   THR  24           HA       THR  24 -13.290 -11.505  -5.937
  171    HB   THR  24           HB       THR  24 -15.340 -11.210  -3.823
  172    HG1  THR  24           HG1      THR  24 -15.834  -9.089  -4.626
  173   1HG2  THR  24          2HG2      THR  24 -12.864  -9.757  -4.753
  174   2HG2  THR  24          1HG2      THR  24 -13.911  -9.099  -3.495
  175   3HG2  THR  24          3HG2      THR  24 -13.109 -10.651  -3.252
  176    H    ASP  25           H        ASP  25 -12.246 -13.123  -5.009
  177    HA   ASP  25           HA       ASP  25 -13.811 -15.424  -4.009
  178   1HB   ASP  25          2HB       ASP  25 -10.984 -15.274  -5.085
  179   2HB   ASP  25          1HB       ASP  25 -11.689 -16.718  -4.356
  180    H    LEU  26           H        LEU  26 -13.444 -13.149  -2.377
  181    HA   LEU  26           HA       LEU  26 -11.652 -14.243  -0.310
  182   1HB   LEU  26          2HB       LEU  26 -12.212 -11.302  -0.802
  183   2HB   LEU  26          1HB       LEU  26 -11.070 -11.984   0.355
  184    HG   LEU  26           HG       LEU  26 -10.698 -12.830  -2.468
  185   1HD1  LEU  26          2HD1      LEU  26 -10.541  -9.988  -1.549
  186   2HD1  LEU  26          1HD1      LEU  26  -9.292 -10.582  -2.643
  187   3HD1  LEU  26          3HD1      LEU  26 -10.986 -10.632  -3.129
  188   1HD2  LEU  26          1HD2      LEU  26  -8.994 -12.055  -0.101
  189   2HD2  LEU  26          3HD2      LEU  26  -9.078 -13.608  -0.932
  190   3HD2  LEU  26          2HD2      LEU  26  -8.291 -12.234  -1.708
  191    H    SER  27           H        SER  27 -12.494 -12.301   1.634
  192    HA   SER  27           HA       SER  27 -15.386 -12.673   1.884
  193   1HB   SER  27          2HB       SER  27 -14.768 -13.338   4.382
  194   2HB   SER  27          1HB       SER  27 -14.915 -14.550   3.114
  195    HG   SER  27           HG       SER  27 -12.698 -13.646   4.474
  196    H    GLY  28           H        GLY  28 -13.705 -10.394   1.424
  197   1HA   GLY  28          2HA       GLY  28 -14.474  -8.207   2.320
  198   2HA   GLY  28          1HA       GLY  28 -14.177  -8.874   3.924
  199    H    ASP  29           H        ASP  29 -11.867  -9.730   4.217
  200    HA   ASP  29           HA       ASP  29 -10.034  -7.623   3.303
  201   1HB   ASP  29          2HB       ASP  29 -10.138  -9.447   5.661
  202   2HB   ASP  29          1HB       ASP  29  -8.551  -8.931   5.090
  203    H    PHE  30           H        PHE  30  -8.204  -8.041   2.152
  204    HA   PHE  30           HA       PHE  30  -7.726 -10.829   1.365
  205   1HB   PHE  30          2HB       PHE  30  -6.923  -9.715  -0.879
  206   2HB   PHE  30          1HB       PHE  30  -8.631  -9.988  -0.602
  207    HD1  PHE  30           HD2      PHE  30  -9.963  -8.006   0.522
  208    HD2  PHE  30           HD1      PHE  30  -6.206  -7.527  -1.518
  209    HE1  PHE  30           HE2      PHE  30 -10.430  -5.593   0.212
  210    HE2  PHE  30           HE1      PHE  30  -6.684  -5.124  -1.828
  211    HZ   PHE  30           HZ       PHE  30  -8.788  -4.154  -0.957
  212    H    LEU  31           H        LEU  31  -5.563  -8.633  -0.072
  213    HA   LEU  31           HA       LEU  31  -3.253  -8.603   0.130
  214   1HB   LEU  31          2HB       LEU  31  -4.230  -7.247   2.648
  215   2HB   LEU  31          1HB       LEU  31  -2.646  -7.016   1.898
  216    HG   LEU  31           HG       LEU  31  -5.125  -6.656   0.246
  217   1HD1  LEU  31          3HD1      LEU  31  -4.854  -5.234   2.581
  218   2HD1  LEU  31          2HD1      LEU  31  -4.037  -4.187   1.420
  219   3HD1  LEU  31          1HD1      LEU  31  -5.714  -4.668   1.148
  220   1HD2  LEU  31          2HD2      LEU  31  -2.239  -5.963   0.139
  221   2HD2  LEU  31          1HD2      LEU  31  -3.340  -6.412  -1.163
  222   3HD2  LEU  31          3HD2      LEU  31  -3.352  -4.768  -0.527
  223    H    ASP  32           H        ASP  32  -3.751 -11.138   0.734
  224    HA   ASP  32           HA       ASP  32  -2.101 -11.648   3.135
  225   1HB   ASP  32          2HB       ASP  32  -4.529 -13.107   2.109
  226   2HB   ASP  32          1HB       ASP  32  -3.336 -13.927   3.117
  227    H    LEU  33           H        LEU  33  -0.467 -11.309   1.346
  228    HA   LEU  33           HA       LEU  33   1.257 -12.256   0.150
  229   1HB   LEU  33          2HB       LEU  33   0.494 -14.357   1.700
  230   2HB   LEU  33          1HB       LEU  33   0.148 -15.004   0.096
  231    HG   LEU  33           HG       LEU  33   2.498 -14.186  -0.558
  232   1HD1  LEU  33          2HD1      LEU  33   2.717 -14.098   2.467
  233   2HD1  LEU  33          1HD1      LEU  33   4.074 -13.983   1.347
  234   3HD1  LEU  33          3HD1      LEU  33   2.848 -12.716   1.379
  235   1HD2  LEU  33          2HD2      LEU  33   1.718 -16.584   0.040
  236   2HD2  LEU  33          1HD2      LEU  33   3.450 -16.254   0.090
  237   3HD2  LEU  33          3HD2      LEU  33   2.520 -16.311   1.587
  238    H    ARG  34           H        ARG  34  -0.906 -11.081  -1.116
  239    HA   ARG  34           HA       ARG  34  -2.111 -12.586  -3.162
  240   1HB   ARG  34          2HB       ARG  34  -2.822 -10.297  -2.528
  241   2HB   ARG  34          1HB       ARG  34  -1.340  -9.652  -3.227
  242   1HG   ARG  34          2HG       ARG  34  -3.155  -9.444  -4.849
  243   2HG   ARG  34          1HG       ARG  34  -1.994 -10.637  -5.429
  244   1HD   ARG  34          2HD       ARG  34  -4.379 -11.373  -5.659
  245   2HD   ARG  34          1HD       ARG  34  -3.400 -12.460  -4.682
  246    HE   ARG  34           HE       ARG  34  -5.259 -10.461  -3.518
  247   1HH1  ARG  34          2HH1      ARG  34  -3.954 -11.376  -1.271
  248   2HH1  ARG  34          1HH1      ARG  34  -4.629 -12.919  -0.870
  249   1HH2  ARG  34          1HH2      ARG  34  -6.035 -13.415  -4.001
  250   2HH2  ARG  34          2HH2      ARG  34  -5.807 -14.074  -2.415
  251    H    PHE  35           H        PHE  35   1.153 -11.501  -2.799
  252    HA   PHE  35           HA       PHE  35   1.738 -11.869  -5.656
  253   1HB   PHE  35          2HB       PHE  35   3.267 -10.718  -3.331
  254   2HB   PHE  35          1HB       PHE  35   4.092 -11.178  -4.818
  255    HD1  PHE  35           HD2      PHE  35   0.808  -9.498  -4.041
  256    HD2  PHE  35           HD1      PHE  35   4.548  -9.333  -6.153
  257    HE1  PHE  35           HE2      PHE  35   0.130  -7.355  -5.075
  258    HE2  PHE  35           HE1      PHE  35   3.866  -7.183  -7.180
  259    HZ   PHE  35           HZ       PHE  35   1.661  -6.198  -6.643
  260    H    GLU  36           H        GLU  36   0.985 -14.128  -3.944
  261    HA   GLU  36           HA       GLU  36   3.219 -15.598  -3.078
  262   1HB   GLU  36          2HB       GLU  36   0.871 -16.117  -2.453
  263   2HB   GLU  36          1HB       GLU  36   0.582 -16.693  -4.092
  264   1HG   GLU  36          2HG       GLU  36   2.192 -18.457  -3.843
  265   2HG   GLU  36          1HG       GLU  36   2.776 -17.787  -2.320
  266    H    ASP  37           H        ASP  37   1.242 -16.544  -5.905
  267    HA   ASP  37           HA       ASP  37   3.317 -16.472  -7.803
  268   1HB   ASP  37          2HB       ASP  37   3.960 -18.393  -6.050
  269   2HB   ASP  37          1HB       ASP  37   2.894 -19.331  -7.096
  270    H    ILE  38           H        ILE  38   0.500 -15.957  -7.640
  271    HA   ILE  38           HA       ILE  38  -0.799 -18.062  -9.180
  272    HB   ILE  38           HB       ILE  38  -2.816 -16.775  -8.988
  273   1HG1  ILE  38          2HG1      ILE  38  -1.138 -14.478  -7.917
  274   2HG1  ILE  38          1HG1      ILE  38  -1.798 -14.544  -9.550
  275   1HG2  ILE  38          2HG2      ILE  38  -1.591 -17.783  -6.860
  276   2HG2  ILE  38          1HG2      ILE  38  -1.520 -16.086  -6.381
  277   3HG2  ILE  38          3HG2      ILE  38  -3.080 -16.853  -6.688
  278   1HD1  ILE  38          2HD1      ILE  38  -3.989 -15.106  -7.903
  279   2HD1  ILE  38          1HD1      ILE  38  -3.123 -13.822  -7.059
  280   3HD1  ILE  38          3HD1      ILE  38  -3.661 -13.579  -8.721
  281    H    GLY  39           H        GLY  39   0.498 -14.850  -9.599
  282   1HA   GLY  39          2HA       GLY  39   1.162 -15.181 -12.323
  283   2HA   GLY  39          1HA       GLY  39  -0.340 -14.260 -12.206
  284    H    TYR  40           H        TYR  40   2.336 -14.265  -9.916
  285    HA   TYR  40           HA       TYR  40   3.129 -11.557 -10.724
  286   1HB   TYR  40          2HB       TYR  40   2.380 -12.327  -7.892
  287   2HB   TYR  40          1HB       TYR  40   3.004 -10.765  -8.416
  288    HD1  TYR  40           HD2      TYR  40   1.658  -9.313  -9.925
  289    HD2  TYR  40           HD1      TYR  40   0.074 -12.942  -8.242
  290    HE1  TYR  40           HE2      TYR  40  -0.639  -8.574 -10.492
  291    HE2  TYR  40           HE1      TYR  40  -2.221 -12.195  -8.813
  292    HH   TYR  40           HH       TYR  40  -3.127 -10.384 -10.804
  293    H    ASP  41           H        ASP  41   5.182 -12.120 -11.299
  294    HA   ASP  41           HA       ASP  41   6.785 -13.634  -9.337
  295   1HB   ASP  41          2HB       ASP  41   8.479 -13.682 -11.307
  296   2HB   ASP  41          1HB       ASP  41   7.073 -14.735 -11.378
  297    H    SER  42           H        SER  42   7.154 -10.889 -11.584
  298    HA   SER  42           HA       SER  42   7.954  -8.948  -9.814
  299   1HB   SER  42          2HB       SER  42  10.525  -9.040 -10.344
  300   2HB   SER  42          1HB       SER  42   9.879  -9.998  -9.015
  301    HG   SER  42           HG       SER  42  10.827 -11.559 -10.087
  302    H    LEU  43           H        LEU  43   8.914 -10.450 -12.877
  303    HA   LEU  43           HA       LEU  43   9.454  -7.933 -14.165
  304   1HB   LEU  43          2HB       LEU  43  10.166 -10.514 -14.707
  305   2HB   LEU  43          1HB       LEU  43   8.875 -10.269 -15.878
  306    HG   LEU  43           HG       LEU  43  11.035  -9.638 -16.853
  307   1HD1  LEU  43          2HD1      LEU  43   8.841  -8.301 -17.245
  308   2HD1  LEU  43          1HD1      LEU  43   9.614  -7.044 -16.279
  309   3HD1  LEU  43          3HD1      LEU  43  10.361  -7.586 -17.782
  310   1HD2  LEU  43          1HD2      LEU  43  11.384  -8.386 -14.238
  311   2HD2  LEU  43          3HD2      LEU  43  12.594  -8.799 -15.452
  312   3HD2  LEU  43          2HD2      LEU  43  11.739  -7.260 -15.548
  313    H    ALA  44           H        ALA  44   6.645  -9.915 -13.663
  314    HA   ALA  44           HA       ALA  44   5.143  -8.713 -15.839
  315   1HB   ALA  44          2HB       ALA  44   4.739 -11.061 -15.164
  316   2HB   ALA  44          1HB       ALA  44   4.193 -10.496 -13.585
  317   3HB   ALA  44          3HB       ALA  44   3.284 -10.074 -15.035
  318    H    LEU  45           H        LEU  45   5.064  -8.643 -12.275
  319    HA   LEU  45           HA       LEU  45   2.969  -6.685 -12.190
  320   1HB   LEU  45          2HB       LEU  45   3.429  -6.590  -9.776
  321   2HB   LEU  45          1HB       LEU  45   3.286  -8.252 -10.340
  322    HG   LEU  45           HG       LEU  45   5.952  -7.889 -10.662
  323   1HD1  LEU  45          3HD1      LEU  45   5.340  -5.555  -9.447
  324   2HD1  LEU  45          2HD1      LEU  45   5.592  -6.566  -8.022
  325   3HD1  LEU  45          1HD1      LEU  45   6.884  -6.376  -9.210
  326   1HD2  LEU  45          2HD2      LEU  45   4.336  -9.454  -9.119
  327   2HD2  LEU  45          1HD2      LEU  45   6.096  -9.477  -9.019
  328   3HD2  LEU  45          3HD2      LEU  45   5.162  -8.521  -7.870
  329    H    MET  46           H        MET  46   6.440  -6.533 -12.398
  330    HA   MET  46           HA       MET  46   6.632  -3.806 -11.466
  331   1HB   MET  46          2HB       MET  46   8.527  -5.412 -11.284
  332   2HB   MET  46          1HB       MET  46   8.654  -5.418 -13.043
  333   1HG   MET  46          2HG       MET  46   9.238  -3.095 -13.097
  334   2HG   MET  46          1HG       MET  46   8.801  -2.879 -11.402
  335   1HE   MET  46          3HE       MET  46  10.526  -1.785 -10.786
  336   2HE   MET  46          2HE       MET  46  12.055  -2.444 -10.209
  337   3HE   MET  46          1HE       MET  46  11.932  -1.837 -11.859
  338    H    GLU  47           H        GLU  47   6.367  -5.448 -14.566
  339    HA   GLU  47           HA       GLU  47   6.985  -3.237 -16.225
  340   1HB   GLU  47          2HB       GLU  47   6.584  -5.825 -16.750
  341   2HB   GLU  47          1HB       GLU  47   4.974  -5.227 -17.152
  342   1HG   GLU  47          2HG       GLU  47   6.231  -3.398 -18.504
  343   2HG   GLU  47          1HG       GLU  47   7.620  -4.480 -18.385
  344    H    THR  48           H        THR  48   3.797  -4.637 -15.442
  345    HA   THR  48           HA       THR  48   2.280  -2.546 -16.564
  346    HB   THR  48           HB       THR  48   1.422  -4.271 -14.237
  347    HG1  THR  48           HG1      THR  48   1.339  -4.834 -17.015
  348   1HG2  THR  48          2HG2      THR  48  -0.077  -2.993 -16.542
  349   2HG2  THR  48          1HG2      THR  48  -0.796  -4.003 -15.286
  350   3HG2  THR  48          3HG2      THR  48  -0.097  -2.439 -14.868
  351    H    ALA  49           H        ALA  49   3.153  -3.176 -13.167
  352    HA   ALA  49           HA       ALA  49   1.953  -0.879 -12.078
  353   1HB   ALA  49          1HB       ALA  49   2.738  -2.794 -10.724
  354   2HB   ALA  49          3HB       ALA  49   4.406  -2.329 -11.064
  355   3HB   ALA  49          2HB       ALA  49   3.365  -1.256 -10.129
  356    H    ALA  50           H        ALA  50   4.859  -1.221 -13.932
  357    HA   ALA  50           HA       ALA  50   6.138   1.167 -12.947
  358   1HB   ALA  50          3HB       ALA  50   6.638  -0.715 -15.233
  359   2HB   ALA  50          2HB       ALA  50   7.471   0.838 -15.166
  360   3HB   ALA  50          1HB       ALA  50   7.676  -0.329 -13.860
  361    H    ARG  51           H        ARG  51   4.223   0.302 -15.807
  362    HA   ARG  51           HA       ARG  51   4.423   2.800 -17.119
  363   1HB   ARG  51          2HB       ARG  51   2.553   0.472 -17.292
  364   2HB   ARG  51          1HB       ARG  51   2.106   1.983 -18.087
  365   1HG   ARG  51          2HG       ARG  51   4.890   0.987 -18.491
  366   2HG   ARG  51          1HG       ARG  51   3.591   0.134 -19.326
  367   1HD   ARG  51          2HD       ARG  51   3.955   1.760 -20.897
  368   2HD   ARG  51          1HD       ARG  51   2.848   2.661 -19.865
  369    HE   ARG  51           HE       ARG  51   4.689   3.913 -19.047
  370   1HH1  ARG  51          1HH2      ARG  51   7.087   2.972 -18.587
  371   2HH1  ARG  51          2HH2      ARG  51   8.016   2.935 -20.047
  372   1HH2  ARG  51          2HH1      ARG  51   5.254   3.208 -22.126
  373   2HH2  ARG  51          1HH1      ARG  51   6.979   3.069 -22.051
  374    H    LEU  52           H        LEU  52   1.987   1.491 -14.889
  375    HA   LEU  52           HA       LEU  52   0.260   3.728 -14.927
  376   1HB   LEU  52          2HB       LEU  52  -0.024   1.306 -13.895
  377   2HB   LEU  52          1HB       LEU  52   0.567   2.104 -12.437
  378    HG   LEU  52           HG       LEU  52  -1.620   3.395 -14.042
  379   1HD1  LEU  52          2HD1      LEU  52  -2.327   1.046 -13.676
  380   2HD1  LEU  52          1HD1      LEU  52  -2.013   1.232 -11.950
  381   3HD1  LEU  52          3HD1      LEU  52  -3.292   2.171 -12.720
  382   1HD2  LEU  52          3HD2      LEU  52  -0.682   3.378 -11.166
  383   2HD2  LEU  52          2HD2      LEU  52  -0.771   4.746 -12.276
  384   3HD2  LEU  52          1HD2      LEU  52  -2.250   4.039 -11.627
  385    H    GLU  53           H        GLU  53   2.914   2.829 -12.742
  386    HA   GLU  53           HA       GLU  53   2.717   5.401 -11.367
  387   1HB   GLU  53          2HB       GLU  53   4.274   2.874 -10.895
  388   2HB   GLU  53          1HB       GLU  53   4.749   4.375 -10.102
  389   1HG   GLU  53          2HG       GLU  53   3.250   3.663  -8.523
  390   2HG   GLU  53          1HG       GLU  53   2.097   4.440  -9.607
  391    H    SER  54           H        SER  54   3.330   5.874 -13.961
  392    HA   SER  54           HA       SER  54   6.245   6.190 -14.136
  393   1HB   SER  54          2HB       SER  54   5.249   5.336 -16.155
  394   2HB   SER  54          1HB       SER  54   4.026   6.605 -16.152
  395    HG   SER  54           HG       SER  54   5.940   6.905 -17.551
  396    H    ARG  55           H        ARG  55   3.321   8.162 -14.673
  397    HA   ARG  55           HA       ARG  55   4.655  10.655 -14.641
  398   1HB   ARG  55          2HB       ARG  55   2.353  11.584 -14.112
  399   2HB   ARG  55          1HB       ARG  55   2.452  10.598 -15.570
  400   1HG   ARG  55          2HG       ARG  55   1.400   8.755 -14.542
  401   2HG   ARG  55          1HG       ARG  55   1.713   9.369 -12.919
  402   1HD   ARG  55          2HD       ARG  55  -0.659   9.668 -13.567
  403   2HD   ARG  55          1HD       ARG  55   0.142  11.209 -13.281
  404    HE   ARG  55           HE       ARG  55  -0.348  11.734 -15.476
  405   1HH1  ARG  55          1HH2      ARG  55  -1.616   8.698 -15.132
  406   2HH1  ARG  55          2HH2      ARG  55  -1.355   8.172 -16.762
  407   1HH2  ARG  55          1HH1      ARG  55  -0.075   9.406 -18.157
  408   2HH2  ARG  55          2HH1      ARG  55   0.645  10.879 -17.597
  409    H    TYR  56           H        TYR  56   3.375   8.595 -12.113
  410    HA   TYR  56           HA       TYR  56   3.428  10.486  -9.993
  411   1HB   TYR  56          2HB       TYR  56   3.630   7.465 -10.013
  412   2HB   TYR  56          1HB       TYR  56   3.581   8.413  -8.534
  413    HD1  TYR  56           HD2      TYR  56   1.603  10.046 -11.050
  414    HD2  TYR  56           HD1      TYR  56   1.530   6.778  -8.244
  415    HE1  TYR  56           HE2      TYR  56  -0.869  10.026 -11.129
  416    HE2  TYR  56           HE1      TYR  56  -0.943   6.769  -8.337
  417    HH   TYR  56           HH       TYR  56  -2.707   8.299 -10.705
  418    H    GLY  57           H        GLY  57   5.637   7.726 -10.479
  419   1HA   GLY  57          2HA       GLY  57   7.845   7.421  -9.861
  420   2HA   GLY  57          1HA       GLY  57   8.073   8.986 -10.630
  421    H    VAL  58           H        VAL  58   6.071   8.580  -7.794
  422    HA   VAL  58           HA       VAL  58   7.449  10.589  -6.346
  423    HB   VAL  58           HB       VAL  58   5.050  10.074  -6.040
  424   1HG1  VAL  58          3HG1      VAL  58   5.379   7.562  -6.206
  425   2HG1  VAL  58          2HG1      VAL  58   5.962   7.610  -4.542
  426   3HG1  VAL  58          1HG1      VAL  58   4.308   8.096  -4.910
  427   1HG2  VAL  58          1HG2      VAL  58   6.898   9.872  -3.664
  428   2HG2  VAL  58          3HG2      VAL  58   6.021  11.286  -4.250
  429   3HG2  VAL  58          2HG2      VAL  58   5.147   9.963  -3.477
  430    H    SER  59           H        SER  59   7.411   7.053  -6.143
  431    HA   SER  59           HA       SER  59   9.409   7.075  -4.010
  432   1HB   SER  59          2HB       SER  59   8.499   4.578  -5.386
  433   2HB   SER  59          1HB       SER  59   8.941   4.827  -3.699
  434    HG   SER  59           HG       SER  59   6.559   5.424  -5.054
  435    H    ILE  60           H        ILE  60  11.521   6.742  -4.280
  436    HA   ILE  60           HA       ILE  60  12.508   6.465  -7.004
  437    HB   ILE  60           HB       ILE  60  14.707   7.051  -6.116
  438   1HG1  ILE  60          2HG1      ILE  60  14.625   7.905  -3.641
  439   2HG1  ILE  60          1HG1      ILE  60  13.286   6.781  -3.473
  440   1HG2  ILE  60          1HG2      ILE  60  12.302   8.726  -5.451
  441   2HG2  ILE  60          3HG2      ILE  60  13.920   9.313  -5.065
  442   3HG2  ILE  60          2HG2      ILE  60  13.491   8.946  -6.736
  443   1HD1  ILE  60          3HD1      ILE  60  15.675   5.688  -4.834
  444   2HD1  ILE  60          2HD1      ILE  60  15.897   6.085  -3.130
  445   3HD1  ILE  60          1HD1      ILE  60  14.639   4.947  -3.615
  446    HA   PRO  61           HA       PRO  61  14.412   2.539  -5.041
  447   1HB   PRO  61          2HB       PRO  61  12.803   1.140  -3.335
  448   2HB   PRO  61          1HB       PRO  61  13.992   2.340  -2.804
  449   1HG   PRO  61          2HG       PRO  61  11.041   2.539  -2.920
  450   2HG   PRO  61          1HG       PRO  61  12.189   3.381  -1.869
  451   1HD   PRO  61          2HD       PRO  61  10.922   4.449  -4.167
  452   2HD   PRO  61          1HD       PRO  61  12.273   5.172  -3.272
  453    H    ASP  62           H        ASP  62  14.295   1.287  -6.809
  454    HA   ASP  62           HA       ASP  62  11.674   0.322  -7.742
  455   1HB   ASP  62          2HB       ASP  62  14.359   0.653  -9.054
  456   2HB   ASP  62          1HB       ASP  62  13.144  -0.419  -9.752
  457    H    ASP  63           H        ASP  63  14.748  -0.752  -6.470
  458    HA   ASP  63           HA       ASP  63  14.656  -3.468  -7.173
  459   1HB   ASP  63          2HB       ASP  63  15.788  -2.248  -4.642
  460   2HB   ASP  63          1HB       ASP  63  16.188  -3.835  -5.302
  461    H    VAL  64           H        VAL  64  13.302  -1.754  -4.374
  462    HA   VAL  64           HA       VAL  64  12.360  -4.034  -2.998
  463    HB   VAL  64           HB       VAL  64  12.551  -1.800  -1.958
  464   1HG1  VAL  64          2HG1      VAL  64  11.692  -0.542  -3.962
  465   2HG1  VAL  64          1HG1      VAL  64  10.070  -1.090  -3.540
  466   3HG1  VAL  64          3HG1      VAL  64  10.963  -0.045  -2.434
  467   1HG2  VAL  64          2HG2      VAL  64   9.797  -3.064  -1.967
  468   2HG2  VAL  64          1HG2      VAL  64  11.119  -3.397  -0.848
  469   3HG2  VAL  64          3HG2      VAL  64  10.301  -1.835  -0.806
  470    H    ALA  65           H        ALA  65  10.829  -1.916  -5.386
  471    HA   ALA  65           HA       ALA  65   8.271  -3.129  -5.343
  472   1HB   ALA  65          3HB       ALA  65   8.761  -0.908  -6.364
  473   2HB   ALA  65          2HB       ALA  65   9.603  -1.735  -7.674
  474   3HB   ALA  65          1HB       ALA  65   7.873  -1.984  -7.442
  475    H    GLY  66           H        GLY  66  11.271  -4.020  -6.880
  476   1HA   GLY  66          2HA       GLY  66  10.090  -5.836  -8.783
  477   2HA   GLY  66          1HA       GLY  66  11.804  -5.689  -8.400
  478    H    ARG  67           H        ARG  67  11.386  -6.030  -5.526
  479    HA   ARG  67           HA       ARG  67  10.965  -8.951  -5.530
  480   1HB   ARG  67          2HB       ARG  67  12.603  -7.140  -3.759
  481   2HB   ARG  67          1HB       ARG  67  12.222  -8.804  -3.311
  482   1HG   ARG  67          2HG       ARG  67  13.083  -9.180  -5.862
  483   2HG   ARG  67          1HG       ARG  67  14.061  -7.785  -5.402
  484   1HD   ARG  67          2HD       ARG  67  13.848 -10.367  -3.830
  485   2HD   ARG  67          1HD       ARG  67  15.199  -9.917  -4.864
  486    HE   ARG  67           HE       ARG  67  14.981  -7.827  -3.098
  487   1HH1  ARG  67          2HH1      ARG  67  13.922  -9.752  -1.087
  488   2HH1  ARG  67          1HH1      ARG  67  15.361 -10.378  -0.354
  489   1HH2  ARG  67          1HH2      ARG  67  17.449  -9.292  -2.900
  490   2HH2  ARG  67          2HH2      ARG  67  17.357 -10.117  -1.380
  491    H    VAL  68           H        VAL  68   8.834  -6.887  -5.335
  492    HA   VAL  68           HA       VAL  68   7.944  -6.767  -2.628
  493    HB   VAL  68           HB       VAL  68   7.183  -5.142  -4.313
  494   1HG1  VAL  68          2HG1      VAL  68   7.042  -6.969  -6.143
  495   2HG1  VAL  68          1HG1      VAL  68   5.437  -7.293  -5.497
  496   3HG1  VAL  68          3HG1      VAL  68   5.816  -5.703  -6.149
  497   1HG2  VAL  68          2HG2      VAL  68   5.677  -6.277  -2.315
  498   2HG2  VAL  68          1HG2      VAL  68   5.195  -4.861  -3.248
  499   3HG2  VAL  68          3HG2      VAL  68   4.611  -6.460  -3.708
  500    H    ASP  69           H        ASP  69   7.596  -8.588  -1.545
  501    HA   ASP  69           HA       ASP  69   6.405 -10.910  -2.858
  502   1HB   ASP  69          2HB       ASP  69   8.356 -10.865  -1.086
  503   2HB   ASP  69          1HB       ASP  69   7.022 -10.833   0.066
  504    H    THR  70           H        THR  70   5.413  -8.248  -0.904
  505    HA   THR  70           HA       THR  70   2.838  -9.600  -0.367
  506    HB   THR  70           HB       THR  70   2.653  -7.741   1.436
  507    HG1  THR  70           HG1      THR  70   4.728  -7.124   2.198
  508   1HG2  THR  70          2HG2      THR  70   4.210 -10.275   1.460
  509   2HG2  THR  70          1HG2      THR  70   4.388  -9.223   2.864
  510   3HG2  THR  70          3HG2      THR  70   2.792  -9.816   2.403
  511    HA   PRO  71           HA       PRO  71   1.056  -6.396  -2.859
  512   1HB   PRO  71          2HB       PRO  71  -1.521  -6.489  -1.967
  513   2HB   PRO  71          1HB       PRO  71  -0.802  -7.732  -3.003
  514   1HG   PRO  71          2HG       PRO  71  -1.438  -7.833  -0.109
  515   2HG   PRO  71          1HG       PRO  71  -1.361  -9.145  -1.293
  516   1HD   PRO  71          2HD       PRO  71   0.623  -8.503   0.615
  517   2HD   PRO  71          1HD       PRO  71   0.817  -9.599  -0.773
  518    H    ARG  72           H        ARG  72   0.045  -6.316   0.555
  519    HA   ARG  72           HA       ARG  72  -0.784  -3.650   0.717
  520   1HB   ARG  72          2HB       ARG  72  -0.789  -5.651   2.477
  521   2HB   ARG  72          1HB       ARG  72   0.660  -4.822   3.045
  522   1HG   ARG  72          2HG       ARG  72  -0.504  -2.881   3.606
  523   2HG   ARG  72          1HG       ARG  72  -1.818  -3.225   2.481
  524   1HD   ARG  72          2HD       ARG  72  -2.488  -5.151   3.925
  525   2HD   ARG  72          1HD       ARG  72  -1.247  -4.675   5.079
  526    HE   ARG  72           HE       ARG  72  -2.512  -2.586   5.405
  527   1HH1  ARG  72          1HH2      ARG  72  -4.442  -1.979   3.593
  528   2HH1  ARG  72          2HH2      ARG  72  -5.876  -2.856   4.012
  529   1HH2  ARG  72          2HH1      ARG  72  -4.214  -5.130   6.034
  530   2HH2  ARG  72          1HH1      ARG  72  -5.747  -4.640   5.393
  531    H    GLU  73           H        GLU  73   2.420  -4.959   0.455
  532    HA   GLU  73           HA       GLU  73   3.804  -2.716   1.592
  533   1HB   GLU  73          2HB       GLU  73   4.713  -5.093   1.289
  534   2HB   GLU  73          1HB       GLU  73   4.955  -4.661  -0.404
  535   1HG   GLU  73          2HG       GLU  73   7.021  -4.136   0.618
  536   2HG   GLU  73          1HG       GLU  73   6.196  -2.583   0.500
  537    H    LEU  74           H        LEU  74   2.940  -3.748  -1.687
  538    HA   LEU  74           HA       LEU  74   4.315  -1.747  -3.110
  539   1HB   LEU  74          2HB       LEU  74   2.748  -3.888  -3.808
  540   2HB   LEU  74          1HB       LEU  74   1.705  -2.533  -4.239
  541    HG   LEU  74           HG       LEU  74   3.961  -1.587  -5.289
  542   1HD1  LEU  74          3HD1      LEU  74   4.327  -4.594  -5.198
  543   2HD1  LEU  74          2HD1      LEU  74   5.194  -3.550  -6.325
  544   3HD1  LEU  74          1HD1      LEU  74   5.431  -3.361  -4.588
  545   1HD2  LEU  74          2HD2      LEU  74   1.722  -2.306  -6.380
  546   2HD2  LEU  74          1HD2      LEU  74   3.160  -2.301  -7.401
  547   3HD2  LEU  74          3HD2      LEU  74   2.546  -3.821  -6.749
  548    H    LEU  75           H        LEU  75   0.994  -1.847  -1.863
  549    HA   LEU  75           HA       LEU  75   0.151   0.676  -2.790
  550   1HB   LEU  75          2HB       LEU  75  -1.421  -0.994  -1.916
  551   2HB   LEU  75          1HB       LEU  75  -0.699  -0.862  -0.317
  552    HG   LEU  75           HG       LEU  75  -1.305   1.701  -0.582
  553   1HD1  LEU  75          2HD1      LEU  75  -3.172   0.319  -2.523
  554   2HD1  LEU  75          1HD1      LEU  75  -3.466   1.917  -1.843
  555   3HD1  LEU  75          3HD1      LEU  75  -2.064   1.646  -2.873
  556   1HD2  LEU  75          1HD2      LEU  75  -3.361  -0.464  -0.060
  557   2HD2  LEU  75          3HD2      LEU  75  -2.227   0.196   1.120
  558   3HD2  LEU  75          2HD2      LEU  75  -3.502   1.218   0.454
  559    H    ASP  76           H        ASP  76   1.492  -0.267   0.376
  560    HA   ASP  76           HA       ASP  76   1.546   2.391   1.390
  561   1HB   ASP  76          2HB       ASP  76   1.652   0.136   2.677
  562   2HB   ASP  76          1HB       ASP  76   3.387   0.231   2.372
  563    H    LEU  77           H        LEU  77   3.524   0.878  -0.930
  564    HA   LEU  77           HA       LEU  77   5.964   2.262  -0.236
  565   1HB   LEU  77          2HB       LEU  77   5.717   0.024  -1.537
  566   2HB   LEU  77          1HB       LEU  77   5.421   1.060  -2.934
  567    HG   LEU  77           HG       LEU  77   7.566   2.306  -2.248
  568   1HD1  LEU  77          3HD1      LEU  77   7.872  -0.252  -0.645
  569   2HD1  LEU  77          2HD1      LEU  77   9.169   0.902  -0.954
  570   3HD1  LEU  77          1HD1      LEU  77   7.773   1.384   0.009
  571   1HD2  LEU  77          1HD2      LEU  77   7.275   0.620  -4.148
  572   2HD2  LEU  77          3HD2      LEU  77   8.918   0.808  -3.537
  573   3HD2  LEU  77          2HD2      LEU  77   7.953  -0.587  -3.054
  574    H    ILE  78           H        ILE  78   3.788   2.432  -3.074
  575    HA   ILE  78           HA       ILE  78   4.918   4.920  -3.959
  576    HB   ILE  78           HB       ILE  78   2.291   3.651  -4.772
  577   1HG1  ILE  78          2HG1      ILE  78   4.805   3.420  -6.380
  578   2HG1  ILE  78          1HG1      ILE  78   4.628   2.367  -4.977
  579   1HG2  ILE  78          2HG2      ILE  78   2.584   6.027  -5.428
  580   2HG2  ILE  78          1HG2      ILE  78   4.118   5.614  -6.195
  581   3HG2  ILE  78          3HG2      ILE  78   2.608   4.957  -6.829
  582   1HD1  ILE  78          1HD1      ILE  78   2.329   2.617  -6.881
  583   2HD1  ILE  78          3HD1      ILE  78   3.704   1.612  -7.339
  584   3HD1  ILE  78          2HD1      ILE  78   2.799   1.251  -5.869
  585    H    ASN  79           H        ASN  79   1.958   3.980  -2.304
  586    HA   ASN  79           HA       ASN  79   0.755   6.535  -2.186
  587   1HB   ASN  79          2HB       ASN  79  -0.410   4.350  -1.766
  588   2HB   ASN  79          1HB       ASN  79   0.417   4.270  -0.212
  589   1HD2  ASN  79          2HD2      ASN  79  -2.700   5.839   0.742
  590   2HD2  ASN  79          1HD2      ASN  79  -2.029   4.306   0.457
  591    H    GLY  80           H        GLY  80   2.832   4.765   0.090
  592   1HA   GLY  80          2HA       GLY  80   2.750   6.655   2.187
  593   2HA   GLY  80          1HA       GLY  80   4.023   5.464   1.937
  594    H    ALA  81           H        ALA  81   4.855   6.342  -0.638
  595    HA   ALA  81           HA       ALA  81   6.693   8.384   0.104
  596   1HB   ALA  81          3HB       ALA  81   5.962   7.194  -2.577
  597   2HB   ALA  81          2HB       ALA  81   7.227   8.405  -2.371
  598   3HB   ALA  81          1HB       ALA  81   7.376   6.834  -1.587
  599    H    LEU  82           H        LEU  82   3.612   8.369  -1.567
  600    HA   LEU  82           HA       LEU  82   3.769  11.060  -2.538
  601   1HB   LEU  82          2HB       LEU  82   1.658   8.968  -2.342
  602   2HB   LEU  82          1HB       LEU  82   1.129  10.642  -2.505
  603    HG   LEU  82           HG       LEU  82   3.321   9.728  -4.309
  604   1HD1  LEU  82          3HD1      LEU  82   1.403   7.948  -4.175
  605   2HD1  LEU  82          2HD1      LEU  82   0.465   9.150  -5.060
  606   3HD1  LEU  82          1HD1      LEU  82   1.948   8.500  -5.759
  607   1HD2  LEU  82          1HD2      LEU  82   0.993  11.636  -4.349
  608   2HD2  LEU  82          3HD2      LEU  82   2.700  11.960  -4.657
  609   3HD2  LEU  82          2HD2      LEU  82   1.729  11.120  -5.866
  610    H    ALA  83           H        ALA  83   2.737   9.557   0.446
  611    HA   ALA  83           HA       ALA  83   1.296  11.815   1.461
  612   1HB   ALA  83          3HB       ALA  83   2.501   9.414   2.854
  613   2HB   ALA  83          2HB       ALA  83   1.486  10.618   3.649
  614   3HB   ALA  83          1HB       ALA  83   0.821   9.617   2.357
  615    H    GLU  84           H        GLU  84   4.621  10.701   1.597
  616    HA   GLU  84           HA       GLU  84   5.454  12.572   3.614
  617   1HB   GLU  84          2HB       GLU  84   6.851  10.685   1.752
  618   2HB   GLU  84          1HB       GLU  84   7.783  11.936   2.576
  619   1HG   GLU  84          2HG       GLU  84   6.407  11.054   4.687
  620   2HG   GLU  84          1HG       GLU  84   6.347   9.579   3.720
  621    H    ALA  85           H        ALA  85   5.427  12.496   0.092
  622    HA   ALA  85           HA       ALA  85   7.019  14.810  -0.327
  623   1HB   ALA  85          2HB       ALA  85   4.894  13.530  -2.059
  624   2HB   ALA  85          1HB       ALA  85   5.950  14.840  -2.588
  625   3HB   ALA  85          3HB       ALA  85   6.636  13.274  -2.158
  626    H    ALA  86           HN       ALA  86   3.529  14.298  -0.009
  627    HA   ALA  86           HA       ALA  86   3.045  17.183  -0.200
  628   1HB   ALA  86          2HB       ALA  86   1.574  15.347  -1.292
  629   2HB   ALA  86          1HB       ALA  86   0.933  15.108   0.334
  630   3HB   ALA  86          3HB       ALA  86   0.769  16.676  -0.457
   
  No H/Q in entry =         630
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1 -11.839   5.676  -9.783
    2   2H    MET   1          3H        MET   1 -12.541   6.722  -8.647
    3   3H    MET   1          2H        MET   1 -13.117   6.696 -10.245
    4    HA   MET   1           HA       MET   1 -11.163   7.684 -11.087
    5   1HB   MET   1          2HB       MET   1 -12.175   8.948  -8.533
    6   2HB   MET   1          1HB       MET   1 -11.010   9.755  -9.583
    7   1HG   MET   1          2HG       MET   1 -12.612   9.468 -11.490
    8   2HG   MET   1          1HG       MET   1 -13.790   8.820 -10.349
    9   1HE   MET   1          3HE       MET   1 -12.559  11.646 -12.197
   10   2HE   MET   1          2HE       MET   1 -12.611  13.090 -11.188
   11   3HE   MET   1          1HE       MET   1 -11.348  11.889 -10.932
   12    H    ALA   2           H        ALA   2  -9.002   8.506 -10.706
   13    HA   ALA   2           HA       ALA   2  -7.582   6.936  -8.646
   14   1HB   ALA   2          3HB       ALA   2  -6.571   8.138 -11.235
   15   2HB   ALA   2          2HB       ALA   2  -5.571   7.275 -10.066
   16   3HB   ALA   2          1HB       ALA   2  -6.862   6.427 -10.919
   17    H    THR   3           H        THR   3  -8.092   8.528  -7.020
   18    HA   THR   3           HA       THR   3  -6.588  11.050  -7.305
   19    HB   THR   3           HB       THR   3  -8.498  10.687  -5.061
   20    HG1  THR   3           HG1      THR   3  -9.842   9.975  -6.587
   21   1HG2  THR   3          2HG2      THR   3  -7.512  12.881  -6.860
   22   2HG2  THR   3          1HG2      THR   3  -9.016  13.089  -5.964
   23   3HG2  THR   3          3HG2      THR   3  -7.506  12.802  -5.098
   24    H    LEU   4           H        LEU   4  -6.933   8.154  -5.447
   25    HA   LEU   4           HA       LEU   4  -4.539   8.891  -3.903
   26   1HB   LEU   4          2HB       LEU   4  -7.162   7.910  -2.784
   27   2HB   LEU   4          1HB       LEU   4  -5.641   7.689  -1.919
   28    HG   LEU   4           HG       LEU   4  -6.328  10.410  -2.978
   29   1HD1  LEU   4          1HD1      LEU   4  -7.401   9.177  -0.421
   30   2HD1  LEU   4          3HD1      LEU   4  -7.478  10.893  -0.820
   31   3HD1  LEU   4          2HD1      LEU   4  -8.358   9.721  -1.799
   32   1HD2  LEU   4          2HD2      LEU   4  -4.103   9.778  -1.925
   33   2HD2  LEU   4          1HD2      LEU   4  -4.934  11.127  -1.151
   34   3HD2  LEU   4          3HD2      LEU   4  -4.975   9.525  -0.413
   35    H    LEU   5           H        LEU   5  -3.527   6.984  -2.865
   36    HA   LEU   5           HA       LEU   5  -3.747   4.651  -4.650
   37   1HB   LEU   5          2HB       LEU   5  -1.558   5.850  -3.012
   38   2HB   LEU   5          1HB       LEU   5  -1.540   4.105  -3.247
   39    HG   LEU   5           HG       LEU   5  -0.246   5.423  -4.983
   40   1HD1  LEU   5          2HD1      LEU   5  -1.332   3.103  -5.284
   41   2HD1  LEU   5          1HD1      LEU   5  -2.560   3.945  -6.232
   42   3HD1  LEU   5          3HD1      LEU   5  -0.871   3.981  -6.744
   43   1HD2  LEU   5          1HD2      LEU   5  -2.306   7.144  -5.019
   44   2HD2  LEU   5          3HD2      LEU   5  -1.281   6.897  -6.431
   45   3HD2  LEU   5          2HD2      LEU   5  -2.839   6.078  -6.320
   46    H    THR   6           H        THR   6  -5.742   4.085  -3.505
   47    HA   THR   6           HA       THR   6  -5.393   3.061  -0.782
   48    HB   THR   6           HB       THR   6  -7.789   2.747  -0.766
   49    HG1  THR   6           HG1      THR   6  -7.651   3.455  -3.508
   50   1HG2  THR   6          2HG2      THR   6  -6.815   5.333  -1.978
   51   2HG2  THR   6          1HG2      THR   6  -8.504   5.106  -1.526
   52   3HG2  THR   6          3HG2      THR   6  -7.243   5.001  -0.299
   53    H    THR   7           H        THR   7  -6.652   0.920  -0.412
   54    HA   THR   7           HA       THR   7  -5.206  -1.169  -1.610
   55    HB   THR   7           HB       THR   7  -7.917  -1.397  -0.283
   56    HG1  THR   7           HG1      THR   7  -5.339  -1.513   0.884
   57   1HG2  THR   7          3HG2      THR   7  -6.906  -3.378  -1.535
   58   2HG2  THR   7          2HG2      THR   7  -5.624  -3.359  -0.325
   59   3HG2  THR   7          1HG2      THR   7  -7.293  -3.651   0.164
   60    H    ASP   8           H        ASP   8  -8.427   0.123  -2.268
   61    HA   ASP   8           HA       ASP   8  -9.247  -1.779  -4.178
   62   1HB   ASP   8          2HB       ASP   8  -9.963   1.131  -3.801
   63   2HB   ASP   8          1HB       ASP   8 -10.703   0.124  -5.045
   64    H    ASP   9           H        ASP   9  -7.151   1.015  -4.388
   65    HA   ASP   9           HA       ASP   9  -7.100   1.276  -7.214
   66   1HB   ASP   9          2HB       ASP   9  -6.251   3.005  -5.598
   67   2HB   ASP   9          1HB       ASP   9  -4.868   1.958  -5.282
   68    H    LEU  10           H        LEU  10  -4.817  -0.310  -4.961
   69    HA   LEU  10           HA       LEU  10  -3.154  -1.367  -6.974
   70   1HB   LEU  10          2HB       LEU  10  -1.997  -2.450  -5.285
   71   2HB   LEU  10          1HB       LEU  10  -2.786  -1.167  -4.380
   72    HG   LEU  10           HG       LEU  10  -4.696  -3.056  -4.163
   73   1HD1  LEU  10          3HD1      LEU  10  -2.944  -4.511  -5.523
   74   2HD1  LEU  10          2HD1      LEU  10  -2.246  -4.754  -3.923
   75   3HD1  LEU  10          1HD1      LEU  10  -3.916  -5.233  -4.240
   76   1HD2  LEU  10          2HD2      LEU  10  -3.476  -1.863  -2.326
   77   2HD2  LEU  10          1HD2      LEU  10  -3.783  -3.563  -1.965
   78   3HD2  LEU  10          3HD2      LEU  10  -2.176  -3.046  -2.477
   79    H    ARG  11           H        ARG  11  -6.209  -2.443  -5.721
   80    HA   ARG  11           HA       ARG  11  -6.086  -5.157  -6.538
   81   1HB   ARG  11          2HB       ARG  11  -7.857  -3.765  -5.070
   82   2HB   ARG  11          1HB       ARG  11  -8.707  -3.757  -6.614
   83   1HG   ARG  11          2HG       ARG  11  -7.806  -6.384  -6.396
   84   2HG   ARG  11          1HG       ARG  11  -8.267  -5.972  -4.744
   85   1HD   ARG  11          2HD       ARG  11 -10.120  -5.207  -6.962
   86   2HD   ARG  11          1HD       ARG  11 -10.057  -6.898  -6.477
   87    HE   ARG  11           HE       ARG  11 -10.536  -4.797  -4.453
   88   1HH1  ARG  11          2HH1      ARG  11 -10.657  -7.866  -4.033
   89   2HH1  ARG  11          1HH1      ARG  11 -12.369  -8.115  -3.973
   90   1HH2  ARG  11          1HH2      ARG  11 -13.135  -5.012  -5.319
   91   2HH2  ARG  11          2HH2      ARG  11 -13.772  -6.499  -4.700
   92    H    ARG  12           H        ARG  12  -7.666  -2.345  -8.056
   93    HA   ARG  12           HA       ARG  12  -8.439  -3.634 -10.428
   94   1HB   ARG  12          2HB       ARG  12  -9.029  -1.252  -9.500
   95   2HB   ARG  12          1HB       ARG  12  -7.631  -0.747 -10.448
   96   1HG   ARG  12          2HG       ARG  12  -9.221  -0.574 -12.098
   97   2HG   ARG  12          1HG       ARG  12  -8.844  -2.285 -12.290
   98   1HD   ARG  12          2HD       ARG  12 -11.014  -2.725 -11.894
   99   2HD   ARG  12          1HD       ARG  12 -10.760  -2.196 -10.236
  100    HE   ARG  12           HE       ARG  12 -12.016  -0.661 -12.381
  101   1HH1  ARG  12          1HH2      ARG  12 -10.638   1.537 -11.406
  102   2HH1  ARG  12          2HH2      ARG  12 -11.399   1.998  -9.919
  103   1HH2  ARG  12          2HH1      ARG  12 -13.008  -1.046  -9.494
  104   2HH2  ARG  12          1HH1      ARG  12 -12.741   0.534  -8.837
  105    H    ALA  13           H        ALA  13  -5.371  -2.297  -9.423
  106    HA   ALA  13           HA       ALA  13  -4.187  -2.171 -12.025
  107   1HB   ALA  13          1HB       ALA  13  -3.419  -1.048  -9.794
  108   2HB   ALA  13          3HB       ALA  13  -2.586  -2.578  -9.517
  109   3HB   ALA  13          2HB       ALA  13  -2.201  -1.607 -10.940
  110    H    LEU  14           H        LEU  14  -4.444  -4.619  -9.519
  111    HA   LEU  14           HA       LEU  14  -2.597  -6.443 -10.780
  112   1HB   LEU  14          2HB       LEU  14  -4.426  -6.543  -8.415
  113   2HB   LEU  14          1HB       LEU  14  -3.846  -8.062  -9.100
  114    HG   LEU  14           HG       LEU  14  -1.789  -5.955  -8.727
  115   1HD1  LEU  14          2HD1      LEU  14  -3.506  -6.154  -6.649
  116   2HD1  LEU  14          1HD1      LEU  14  -2.433  -7.501  -6.268
  117   3HD1  LEU  14          3HD1      LEU  14  -1.779  -5.872  -6.435
  118   1HD2  LEU  14          2HD2      LEU  14  -1.668  -8.519  -9.439
  119   2HD2  LEU  14          1HD2      LEU  14  -0.389  -7.786  -8.472
  120   3HD2  LEU  14          3HD2      LEU  14  -1.634  -8.762  -7.692
  121    H    VAL  15           H        VAL  15  -5.994  -5.748 -11.025
  122    HA   VAL  15           HA       VAL  15  -6.619  -8.282 -12.316
  123    HB   VAL  15           HB       VAL  15  -8.369  -5.829 -12.052
  124   1HG1  VAL  15          3HG1      VAL  15  -8.746  -8.666 -12.933
  125   2HG1  VAL  15          2HG1      VAL  15 -10.070  -7.873 -12.079
  126   3HG1  VAL  15          1HG1      VAL  15  -9.454  -7.187 -13.583
  127   1HG2  VAL  15          2HG2      VAL  15  -7.490  -7.819 -10.071
  128   2HG2  VAL  15          1HG2      VAL  15  -8.300  -6.273  -9.825
  129   3HG2  VAL  15          3HG2      VAL  15  -9.246  -7.710 -10.208
  130    H    GLU  16           H        GLU  16  -5.633  -5.081 -13.216
  131    HA   GLU  16           HA       GLU  16  -6.711  -4.927 -15.813
  132   1HB   GLU  16          2HB       GLU  16  -5.452  -3.125 -14.428
  133   2HB   GLU  16          1HB       GLU  16  -3.996  -3.830 -15.131
  134   1HG   GLU  16          2HG       GLU  16  -5.205  -3.588 -17.402
  135   2HG   GLU  16          1HG       GLU  16  -6.306  -2.504 -16.550
  136    H    CYS  17           H        CYS  17  -3.556  -6.137 -14.675
  137    HA   CYS  17           HA       CYS  17  -2.968  -7.187 -17.343
  138   1HB   CYS  17          2HB       CYS  17  -1.410  -6.685 -14.862
  139   2HB   CYS  17          1HB       CYS  17  -0.877  -8.029 -15.871
  140    HG   CYS  17           HG       CYS  17   0.112  -6.359 -17.398
  141    H    ALA  18           H        ALA  18  -5.053  -8.317 -15.298
  142    HA   ALA  18           HA       ALA  18  -3.992 -11.004 -14.889
  143   1HB   ALA  18          1HB       ALA  18  -6.697  -9.816 -14.220
  144   2HB   ALA  18          3HB       ALA  18  -6.156 -11.436 -13.777
  145   3HB   ALA  18          2HB       ALA  18  -5.347 -10.020 -13.102
  146    H    GLY  19           H        GLY  19  -7.106  -9.831 -16.172
  147   1HA   GLY  19          2HA       GLY  19  -6.832 -11.096 -18.708
  148   2HA   GLY  19          1HA       GLY  19  -7.771 -12.114 -17.618
  149    H    GLU  20           H        GLU  20  -9.822 -11.497 -16.999
  150    HA   GLU  20           HA       GLU  20 -10.884  -8.994 -18.153
  151   1HB   GLU  20          2HB       GLU  20 -11.415 -11.123 -19.522
  152   2HB   GLU  20          1HB       GLU  20 -12.481 -11.547 -18.182
  153   1HG   GLU  20          2HG       GLU  20 -13.831  -9.624 -18.501
  154   2HG   GLU  20          1HG       GLU  20 -12.620  -8.842 -19.518
  155    H    THR  21           H        THR  21 -11.597 -11.752 -16.025
  156    HA   THR  21           HA       THR  21 -12.091 -10.205 -13.731
  157    HB   THR  21           HB       THR  21 -14.073  -9.369 -14.848
  158    HG1  THR  21           HG1      THR  21 -14.871 -11.435 -13.086
  159   1HG2  THR  21          1HG2      THR  21 -14.083 -11.684 -16.248
  160   2HG2  THR  21          3HG2      THR  21 -15.340 -12.043 -15.065
  161   3HG2  THR  21          2HG2      THR  21 -15.494 -10.634 -16.116
  162    H    ASP  22           H        ASP  22 -11.541 -11.605 -12.218
  163    HA   ASP  22           HA       ASP  22 -11.932 -14.466 -12.650
  164   1HB   ASP  22          2HB       ASP  22 -10.495 -12.914 -10.489
  165   2HB   ASP  22          1HB       ASP  22 -10.622 -14.673 -10.518
  166    H    GLY  23           H        GLY  23 -13.888 -12.080 -11.472
  167   1HA   GLY  23          2HA       GLY  23 -15.972 -12.415 -10.452
  168   2HA   GLY  23          1HA       GLY  23 -15.433 -14.002  -9.912
  169    H    THR  24           H        THR  24 -13.557 -13.896  -8.288
  170    HA   THR  24           HA       THR  24 -12.791 -13.307  -6.206
  171    HB   THR  24           HB       THR  24 -13.799 -10.519  -6.461
  172    HG1  THR  24           HG1      THR  24 -11.659 -11.591  -7.979
  173   1HG2  THR  24          2HG2      THR  24 -12.345 -11.446  -4.584
  174   2HG2  THR  24          1HG2      THR  24 -11.053 -11.577  -5.777
  175   3HG2  THR  24          3HG2      THR  24 -11.734  -9.998  -5.383
  176    H    ASP  25           H        ASP  25 -13.664 -13.668  -4.278
  177    HA   ASP  25           HA       ASP  25 -16.471 -12.841  -3.830
  178   1HB   ASP  25          2HB       ASP  25 -16.096 -15.336  -4.241
  179   2HB   ASP  25          1HB       ASP  25 -15.259 -15.354  -2.689
  180    H    LEU  26           H        LEU  26 -13.606 -11.870  -2.967
  181    HA   LEU  26           HA       LEU  26 -14.426 -11.237  -0.246
  182   1HB   LEU  26          2HB       LEU  26 -12.215 -11.901   0.688
  183   2HB   LEU  26          1HB       LEU  26 -13.168 -13.276   0.131
  184    HG   LEU  26           HG       LEU  26 -11.787 -12.592  -2.152
  185   1HD1  LEU  26          3HD1      LEU  26 -10.512 -11.037  -0.395
  186   2HD1  LEU  26          2HD1      LEU  26  -9.652 -12.541  -0.062
  187   3HD1  LEU  26          1HD1      LEU  26  -9.644 -11.864  -1.690
  188   1HD2  LEU  26          3HD2      LEU  26 -11.400 -14.598   0.039
  189   2HD2  LEU  26          2HD2      LEU  26 -11.834 -14.856  -1.651
  190   3HD2  LEU  26          1HD2      LEU  26 -10.166 -14.485  -1.216
  191    H    SER  27           H        SER  27 -14.195  -9.122  -0.089
  192    HA   SER  27           HA       SER  27 -11.896  -7.839  -1.446
  193   1HB   SER  27          2HB       SER  27 -14.056  -7.298  -2.548
  194   2HB   SER  27          1HB       SER  27 -14.649  -6.654  -1.020
  195    HG   SER  27           HG       SER  27 -12.289  -5.773  -2.334
  196    H    GLY  28           H        GLY  28 -11.750  -8.820   1.152
  197   1HA   GLY  28          2HA       GLY  28 -12.021  -6.440   2.874
  198   2HA   GLY  28          1HA       GLY  28 -11.829  -8.094   3.443
  199    H    ASP  29           H        ASP  29  -9.737  -9.147   3.032
  200    HA   ASP  29           HA       ASP  29  -7.557  -7.217   3.413
  201   1HB   ASP  29          2HB       ASP  29  -7.761 -10.190   3.914
  202   2HB   ASP  29          1HB       ASP  29  -6.260  -9.279   4.081
  203    H    PHE  30           H        PHE  30  -7.769 -10.407   1.840
  204    HA   PHE  30           HA       PHE  30  -6.605 -11.279   0.049
  205   1HB   PHE  30          2HB       PHE  30  -6.998 -10.042  -2.085
  206   2HB   PHE  30          1HB       PHE  30  -8.447 -10.342  -1.140
  207    HD1  PHE  30           HD2      PHE  30  -6.020  -7.764  -2.206
  208    HD2  PHE  30           HD1      PHE  30  -9.680  -8.553  -0.097
  209    HE1  PHE  30           HE2      PHE  30  -6.527  -5.341  -2.186
  210    HE2  PHE  30           HE1      PHE  30 -10.190  -6.131  -0.077
  211    HZ   PHE  30           HZ       PHE  30  -8.616  -4.521  -1.121
  212    H    LEU  31           H        LEU  31  -4.973  -9.698   1.817
  213    HA   LEU  31           HA       LEU  31  -2.838  -9.031  -0.099
  214   1HB   LEU  31          2HB       LEU  31  -3.657  -7.384   2.302
  215   2HB   LEU  31          1HB       LEU  31  -2.149  -7.155   1.414
  216    HG   LEU  31           HG       LEU  31  -4.747  -7.206  -0.087
  217   1HD1  LEU  31          2HD1      LEU  31  -4.468  -5.479   2.016
  218   2HD1  LEU  31          1HD1      LEU  31  -3.743  -4.541   0.710
  219   3HD1  LEU  31          3HD1      LEU  31  -5.401  -5.125   0.562
  220   1HD2  LEU  31          1HD2      LEU  31  -1.948  -6.223  -0.466
  221   2HD2  LEU  31          3HD2      LEU  31  -2.992  -7.092  -1.589
  222   3HD2  LEU  31          2HD2      LEU  31  -3.250  -5.372  -1.299
  223    H    ASP  32           H        ASP  32  -2.391 -11.319   0.550
  224    HA   ASP  32           HA       ASP  32  -0.588 -11.316   2.883
  225   1HB   ASP  32          2HB       ASP  32  -2.835 -13.218   2.314
  226   2HB   ASP  32          1HB       ASP  32  -1.380 -13.811   3.115
  227    H    LEU  33           H        LEU  33  -1.692 -13.164   0.050
  228    HA   LEU  33           HA       LEU  33   1.105 -13.542  -0.756
  229   1HB   LEU  33          2HB       LEU  33   0.685 -15.951  -1.228
  230   2HB   LEU  33          1HB       LEU  33   0.624 -15.574   0.493
  231    HG   LEU  33           HG       LEU  33  -1.928 -15.412  -1.049
  232   1HD1  LEU  33          2HD1      LEU  33  -0.628 -18.008  -0.167
  233   2HD1  LEU  33          1HD1      LEU  33  -2.294 -17.845  -0.723
  234   3HD1  LEU  33          3HD1      LEU  33  -0.959 -17.528  -1.832
  235   1HD2  LEU  33          2HD2      LEU  33  -1.057 -16.223   1.735
  236   2HD2  LEU  33          1HD2      LEU  33  -2.030 -14.828   1.269
  237   3HD2  LEU  33          3HD2      LEU  33  -2.707 -16.451   1.155
  238    H    ARG  34           H        ARG  34  -1.063 -11.891  -1.723
  239    HA   ARG  34           HA       ARG  34  -2.376 -12.986  -3.961
  240   1HB   ARG  34          2HB       ARG  34  -2.563 -10.624  -2.720
  241   2HB   ARG  34          1HB       ARG  34  -1.526 -10.132  -4.060
  242   1HG   ARG  34          2HG       ARG  34  -3.862 -11.847  -4.744
  243   2HG   ARG  34          1HG       ARG  34  -4.215 -10.190  -4.254
  244   1HD   ARG  34          2HD       ARG  34  -2.232  -9.638  -5.932
  245   2HD   ARG  34          1HD       ARG  34  -2.699 -11.183  -6.633
  246    HE   ARG  34           HE       ARG  34  -4.103  -8.742  -6.936
  247   1HH1  ARG  34          2HH1      ARG  34  -4.266 -11.755  -8.104
  248   2HH1  ARG  34          1HH1      ARG  34  -5.983 -11.964  -8.021
  249   1HH2  ARG  34          1HH2      ARG  34  -6.493  -9.162  -6.042
  250   2HH2  ARG  34          2HH2      ARG  34  -7.244 -10.496  -6.852
  251    H    PHE  35           H        PHE  35   0.853 -11.690  -3.536
  252    HA   PHE  35           HA       PHE  35   1.422 -11.649  -6.383
  253   1HB   PHE  35          2HB       PHE  35   2.993 -11.074  -3.892
  254   2HB   PHE  35          1HB       PHE  35   3.840 -11.348  -5.413
  255    HD1  PHE  35           HD2      PHE  35   0.617  -9.616  -4.546
  256    HD2  PHE  35           HD1      PHE  35   4.511  -9.311  -6.341
  257    HE1  PHE  35           HE2      PHE  35   0.120  -7.288  -5.238
  258    HE2  PHE  35           HE1      PHE  35   4.010  -6.985  -7.025
  259    HZ   PHE  35           HZ       PHE  35   1.820  -5.972  -6.476
  260    H    GLU  36           H        GLU  36   2.096 -13.709  -3.597
  261    HA   GLU  36           HA       GLU  36   3.562 -15.600  -5.307
  262   1HB   GLU  36          2HB       GLU  36   3.328 -15.193  -2.347
  263   2HB   GLU  36          1HB       GLU  36   3.783 -16.780  -2.968
  264   1HG   GLU  36          2HG       GLU  36   5.434 -15.287  -4.460
  265   2HG   GLU  36          1HG       GLU  36   5.279 -14.203  -3.076
  266    H    ASP  37           H        ASP  37   1.282 -15.809  -6.319
  267    HA   ASP  37           HA       ASP  37   0.292 -18.382  -5.743
  268   1HB   ASP  37          2HB       ASP  37  -0.656 -17.061  -3.766
  269   2HB   ASP  37          1HB       ASP  37  -1.669 -16.229  -4.945
  270    H    ILE  38           H        ILE  38  -1.018 -15.221  -6.733
  271    HA   ILE  38           HA       ILE  38  -2.579 -16.205  -8.872
  272    HB   ILE  38           HB       ILE  38  -2.760 -13.953  -7.719
  273   1HG1  ILE  38          2HG1      ILE  38  -3.987 -14.530  -9.815
  274   2HG1  ILE  38          1HG1      ILE  38  -3.626 -12.814  -9.671
  275   1HG2  ILE  38          1HG2      ILE  38  -0.269 -13.469  -8.014
  276   2HG2  ILE  38          3HG2      ILE  38  -0.661 -13.029  -9.676
  277   3HG2  ILE  38          2HG2      ILE  38  -1.381 -12.139  -8.335
  278   1HD1  ILE  38          1HD1      ILE  38  -1.421 -13.693 -11.036
  279   2HD1  ILE  38          3HD1      ILE  38  -2.664 -14.783 -11.651
  280   3HD1  ILE  38          2HD1      ILE  38  -2.866 -13.039 -11.803
  281    H    GLY  39           H        GLY  39   0.753 -15.107  -8.648
  282   1HA   GLY  39          2HA       GLY  39   2.356 -16.255 -10.151
  283   2HA   GLY  39          1HA       GLY  39   1.189 -15.992 -11.444
  284    H    TYR  40           H        TYR  40   2.065 -13.677  -8.924
  285    HA   TYR  40           HA       TYR  40   3.166 -11.909 -11.026
  286   1HB   TYR  40          2HB       TYR  40   1.365 -11.410  -8.719
  287   2HB   TYR  40          1HB       TYR  40   2.619 -10.202  -8.990
  288    HD1  TYR  40           HD1      TYR  40   2.977  -9.792 -11.707
  289    HD2  TYR  40           HD2      TYR  40  -0.674 -10.899  -9.729
  290    HE1  TYR  40           HE1      TYR  40   1.667  -8.845 -13.587
  291    HE2  TYR  40           HE2      TYR  40  -1.980  -9.950 -11.607
  292    HH   TYR  40           HH       TYR  40  -1.145  -9.515 -14.388
  293    H    ASP  41           H        ASP  41   5.146 -13.246 -10.558
  294    HA   ASP  41           HA       ASP  41   6.489 -13.071  -8.077
  295   1HB   ASP  41          2HB       ASP  41   8.558 -13.599  -9.457
  296   2HB   ASP  41          1HB       ASP  41   7.236 -14.753  -9.574
  297    H    SER  42           H        SER  42   6.906 -11.179 -11.075
  298    HA   SER  42           HA       SER  42   7.282  -8.711  -9.820
  299   1HB   SER  42          2HB       SER  42   9.862  -8.609 -10.393
  300   2HB   SER  42          1HB       SER  42   9.309  -9.200  -8.829
  301    HG   SER  42           HG       SER  42  10.764 -10.476 -10.590
  302    H    LEU  43           H        LEU  43   8.661 -10.681 -12.446
  303    HA   LEU  43           HA       LEU  43   9.046  -8.624 -14.307
  304   1HB   LEU  43          2HB       LEU  43   8.946 -10.424 -16.025
  305   2HB   LEU  43          1HB       LEU  43  10.002 -10.819 -14.669
  306    HG   LEU  43           HG       LEU  43   7.618 -11.803 -13.762
  307   1HD1  LEU  43          3HD1      LEU  43   6.538 -11.265 -15.946
  308   2HD1  LEU  43          2HD1      LEU  43   7.695 -12.326 -16.750
  309   3HD1  LEU  43          1HD1      LEU  43   6.535 -12.994 -15.602
  310   1HD2  LEU  43          1HD2      LEU  43   9.946 -12.870 -13.989
  311   2HD2  LEU  43          3HD2      LEU  43   8.564 -13.955 -14.146
  312   3HD2  LEU  43          2HD2      LEU  43   9.422 -13.404 -15.586
  313    H    ALA  44           H        ALA  44   6.161 -10.455 -13.482
  314    HA   ALA  44           HA       ALA  44   4.625  -9.478 -15.721
  315   1HB   ALA  44          3HB       ALA  44   3.905 -10.982 -13.208
  316   2HB   ALA  44          2HB       ALA  44   2.686 -10.431 -14.356
  317   3HB   ALA  44          1HB       ALA  44   3.924 -11.577 -14.869
  318    H    LEU  45           H        LEU  45   4.764  -8.781 -12.243
  319    HA   LEU  45           HA       LEU  45   2.813  -6.658 -12.436
  320   1HB   LEU  45          2HB       LEU  45   3.302  -6.296 -10.054
  321   2HB   LEU  45          1HB       LEU  45   2.991  -7.992 -10.404
  322    HG   LEU  45           HG       LEU  45   5.711  -7.841 -10.781
  323   1HD1  LEU  45          2HD1      LEU  45   5.125  -5.455  -9.518
  324   2HD1  LEU  45          1HD1      LEU  45   5.557  -6.506  -8.168
  325   3HD1  LEU  45          3HD1      LEU  45   6.693  -6.260  -9.494
  326   1HD2  LEU  45          3HD2      LEU  45   3.894  -8.728  -8.597
  327   2HD2  LEU  45          2HD2      LEU  45   5.063  -9.657  -9.532
  328   3HD2  LEU  45          1HD2      LEU  45   5.610  -8.633  -8.204
  329    H    MET  46           H        MET  46   5.954  -6.754 -13.432
  330    HA   MET  46           HA       MET  46   6.919  -4.265 -12.370
  331   1HB   MET  46          2HB       MET  46   8.413  -6.105 -13.200
  332   2HB   MET  46          1HB       MET  46   7.885  -5.724 -14.839
  333   1HG   MET  46          2HG       MET  46   8.963  -3.664 -14.853
  334   2HG   MET  46          1HG       MET  46   8.917  -3.511 -13.097
  335   1HE   MET  46          1HE       MET  46  10.076  -6.024 -15.819
  336   2HE   MET  46          3HE       MET  46  10.880  -4.488 -16.174
  337   3HE   MET  46          2HE       MET  46  11.828  -5.896 -15.700
  338    H    GLU  47           H        GLU  47   5.137  -5.274 -15.213
  339    HA   GLU  47           HA       GLU  47   5.467  -2.851 -16.690
  340   1HB   GLU  47          2HB       GLU  47   4.630  -5.231 -17.458
  341   2HB   GLU  47          1HB       GLU  47   3.049  -4.577 -17.032
  342   1HG   GLU  47          2HG       GLU  47   4.957  -3.019 -18.770
  343   2HG   GLU  47          1HG       GLU  47   3.874  -4.227 -19.461
  344    H    THR  48           H        THR  48   2.666  -4.159 -14.904
  345    HA   THR  48           HA       THR  48   1.048  -1.874 -15.091
  346    HB   THR  48           HB       THR  48   1.091  -3.861 -12.809
  347    HG1  THR  48           HG1      THR  48  -0.378  -3.941 -15.228
  348   1HG2  THR  48          2HG2      THR  48  -0.283  -1.676 -12.688
  349   2HG2  THR  48          1HG2      THR  48  -1.277  -2.390 -13.957
  350   3HG2  THR  48          3HG2      THR  48  -1.134  -3.192 -12.392
  351    H    ALA  49           H        ALA  49   3.378  -2.847 -12.602
  352    HA   ALA  49           HA       ALA  49   2.900  -0.635 -10.875
  353   1HB   ALA  49          2HB       ALA  49   5.250  -2.516 -11.145
  354   2HB   ALA  49          1HB       ALA  49   5.138  -1.275  -9.896
  355   3HB   ALA  49          3HB       ALA  49   3.953  -2.580  -9.951
  356    H    ALA  50           H        ALA  50   4.857  -1.068 -13.729
  357    HA   ALA  50           HA       ALA  50   6.616   1.143 -13.282
  358   1HB   ALA  50          2HB       ALA  50   5.865  -0.442 -15.735
  359   2HB   ALA  50          1HB       ALA  50   6.965   0.934 -15.809
  360   3HB   ALA  50          3HB       ALA  50   7.381  -0.474 -14.833
  361    H    ARG  51           H        ARG  51   3.470   0.746 -14.797
  362    HA   ARG  51           HA       ARG  51   3.425   3.352 -16.006
  363   1HB   ARG  51          2HB       ARG  51   2.009   1.239 -16.598
  364   2HB   ARG  51          1HB       ARG  51   0.940   1.815 -15.319
  365   1HG   ARG  51          2HG       ARG  51   0.610   3.922 -16.433
  366   2HG   ARG  51          1HG       ARG  51   1.874   3.562 -17.609
  367   1HD   ARG  51          2HD       ARG  51  -0.609   1.864 -17.299
  368   2HD   ARG  51          1HD       ARG  51  -0.512   3.214 -18.424
  369    HE   ARG  51           HE       ARG  51   1.503   1.072 -18.608
  370   1HH1  ARG  51          2HH1      ARG  51   1.362   3.040 -20.795
  371   2HH1  ARG  51          1HH1      ARG  51   0.361   2.263 -21.976
  372   1HH2  ARG  51          1HH2      ARG  51  -0.923  -0.061 -19.747
  373   2HH2  ARG  51          2HH2      ARG  51  -0.932   0.507 -21.383
  374    H    LEU  52           H        LEU  52   1.865   1.928 -13.140
  375    HA   LEU  52           HA       LEU  52   0.607   4.306 -12.265
  376   1HB   LEU  52          2HB       LEU  52   1.321   1.705 -10.953
  377   2HB   LEU  52          1HB       LEU  52   0.742   3.050  -9.969
  378    HG   LEU  52           HG       LEU  52  -0.721   2.094 -12.438
  379   1HD1  LEU  52          2HD1      LEU  52  -0.834   1.140  -9.587
  380   2HD1  LEU  52          1HD1      LEU  52  -2.288   1.112 -10.585
  381   3HD1  LEU  52          3HD1      LEU  52  -0.866   0.193 -11.075
  382   1HD2  LEU  52          3HD2      LEU  52  -0.978   4.419 -11.063
  383   2HD2  LEU  52          2HD2      LEU  52  -2.334   3.615 -11.854
  384   3HD2  LEU  52          1HD2      LEU  52  -2.065   3.392 -10.126
  385    H    GLU  53           H        GLU  53   3.864   3.105 -11.928
  386    HA   GLU  53           HA       GLU  53   4.517   5.042  -9.839
  387   1HB   GLU  53          2HB       GLU  53   5.440   2.632 -10.004
  388   2HB   GLU  53          1HB       GLU  53   6.507   3.286 -11.247
  389   1HG   GLU  53          2HG       GLU  53   7.821   3.668  -9.386
  390   2HG   GLU  53          1HG       GLU  53   6.900   5.172  -9.403
  391    H    SER  54           H        SER  54   3.802   5.801 -12.727
  392    HA   SER  54           HA       SER  54   6.317   7.103 -13.515
  393   1HB   SER  54          2HB       SER  54   3.694   6.774 -14.987
  394   2HB   SER  54          1HB       SER  54   5.081   7.660 -15.612
  395    HG   SER  54           HG       SER  54   6.286   5.684 -15.326
  396    H    ARG  55           H        ARG  55   2.862   7.876 -13.101
  397    HA   ARG  55           HA       ARG  55   3.173  10.687 -13.242
  398   1HB   ARG  55          2HB       ARG  55   0.993   9.483 -13.488
  399   2HB   ARG  55          1HB       ARG  55   1.026   9.149 -11.758
  400   1HG   ARG  55          2HG       ARG  55  -0.231  11.105 -11.797
  401   2HG   ARG  55          1HG       ARG  55   1.390  11.761 -11.572
  402   1HD   ARG  55          2HD       ARG  55   0.804  13.044 -13.371
  403   2HD   ARG  55          1HD       ARG  55   1.338  11.627 -14.267
  404    HE   ARG  55           HE       ARG  55  -1.372  11.255 -13.669
  405   1HH1  ARG  55          1HH2      ARG  55  -1.749  14.115 -14.213
  406   2HH1  ARG  55          2HH2      ARG  55  -1.896  14.190 -15.938
  407   1HH2  ARG  55          2HH1      ARG  55  -0.527  11.047 -16.457
  408   2HH2  ARG  55          1HH1      ARG  55  -1.204  12.454 -17.208
  409    H    TYR  56           H        TYR  56   3.325   8.374 -10.596
  410    HA   TYR  56           HA       TYR  56   3.687  10.503  -8.623
  411   1HB   TYR  56          2HB       TYR  56   3.841   7.523  -8.139
  412   2HB   TYR  56          1HB       TYR  56   3.560   8.796  -6.953
  413    HD1  TYR  56           HD1      TYR  56   1.540  10.497  -8.108
  414    HD2  TYR  56           HD2      TYR  56   1.909   6.220  -8.350
  415    HE1  TYR  56           HE1      TYR  56  -0.902  10.305  -8.494
  416    HE2  TYR  56           HE2      TYR  56  -0.532   6.034  -8.739
  417    HH   TYR  56           HH       TYR  56  -2.368   7.545  -9.659
  418    H    GLY  57           H        GLY  57   5.441   7.558  -9.617
  419   1HA   GLY  57          2HA       GLY  57   7.685   7.035  -9.602
  420   2HA   GLY  57          1HA       GLY  57   7.940   8.731 -10.000
  421    H    VAL  58           H        VAL  58   7.473   6.480  -7.301
  422    HA   VAL  58           HA       VAL  58   8.065   8.279  -5.213
  423    HB   VAL  58           HB       VAL  58   7.009   6.062  -4.895
  424   1HG1  VAL  58          3HG1      VAL  58   9.029   5.106  -6.485
  425   2HG1  VAL  58          2HG1      VAL  58   9.566   4.603  -4.883
  426   3HG1  VAL  58          1HG1      VAL  58   7.983   4.104  -5.481
  427   1HG2  VAL  58          2HG2      VAL  58   8.393   7.343  -3.110
  428   2HG2  VAL  58          1HG2      VAL  58   7.954   5.665  -2.790
  429   3HG2  VAL  58          3HG2      VAL  58   9.580   6.060  -3.343
  430    H    SER  59           H        SER  59  10.062   8.171  -3.844
  431    HA   SER  59           HA       SER  59  12.322   8.921  -5.307
  432   1HB   SER  59          2HB       SER  59  11.791   8.258  -2.456
  433   2HB   SER  59          1HB       SER  59  13.473   8.284  -2.981
  434    HG   SER  59           HG       SER  59  12.331  10.337  -2.248
  435    H    ILE  60           H        ILE  60  11.456   5.772  -3.920
  436    HA   ILE  60           HA       ILE  60  13.554   4.563  -5.587
  437    HB   ILE  60           HB       ILE  60  13.187   3.818  -2.677
  438   1HG1  ILE  60          2HG1      ILE  60  15.444   5.374  -3.981
  439   2HG1  ILE  60          1HG1      ILE  60  14.178   6.102  -2.993
  440   1HG2  ILE  60          3HG2      ILE  60  15.186   3.021  -4.814
  441   2HG2  ILE  60          2HG2      ILE  60  15.335   2.597  -3.109
  442   3HG2  ILE  60          1HG2      ILE  60  13.982   1.979  -4.057
  443   1HD1  ILE  60          3HD1      ILE  60  14.876   4.378  -1.189
  444   2HD1  ILE  60          2HD1      ILE  60  16.343   4.181  -2.149
  445   3HD1  ILE  60          1HD1      ILE  60  15.941   5.756  -1.464
  446    HA   PRO  61           HA       PRO  61   9.659   2.109  -5.739
  447   1HB   PRO  61          2HB       PRO  61   9.393   2.097  -8.454
  448   2HB   PRO  61          1HB       PRO  61   8.741   3.369  -7.416
  449   1HG   PRO  61          2HG       PRO  61  11.062   3.447  -9.236
  450   2HG   PRO  61          1HG       PRO  61  10.068   4.775  -8.623
  451   1HD   PRO  61          2HD       PRO  61  12.659   4.000  -7.700
  452   2HD   PRO  61          1HD       PRO  61  11.586   5.226  -6.983
  453    H    ASP  62           H        ASP  62  12.541   1.899  -7.685
  454    HA   ASP  62           HA       ASP  62  12.279  -0.708  -8.691
  455   1HB   ASP  62          2HB       ASP  62  14.599   1.107  -8.173
  456   2HB   ASP  62          1HB       ASP  62  14.906  -0.581  -8.583
  457    H    ASP  63           H        ASP  63  13.088   0.409  -5.498
  458    HA   ASP  63           HA       ASP  63  14.525  -1.834  -4.578
  459   1HB   ASP  63          2HB       ASP  63  13.027   0.394  -3.294
  460   2HB   ASP  63          1HB       ASP  63  13.369  -1.027  -2.306
  461    H    VAL  64           H        VAL  64  11.280  -1.128  -3.302
  462    HA   VAL  64           HA       VAL  64  10.759  -3.843  -2.739
  463    HB   VAL  64           HB       VAL  64   9.643  -1.985  -1.555
  464   1HG1  VAL  64          2HG1      VAL  64   9.285  -0.579  -3.619
  465   2HG1  VAL  64          1HG1      VAL  64   7.967  -1.668  -4.053
  466   3HG1  VAL  64          3HG1      VAL  64   7.871  -0.716  -2.573
  467   1HG2  VAL  64          1HG2      VAL  64   7.836  -3.946  -2.994
  468   2HG2  VAL  64          3HG2      VAL  64   8.612  -4.171  -1.426
  469   3HG2  VAL  64          2HG2      VAL  64   7.329  -2.974  -1.613
  470    H    ALA  65           H        ALA  65   9.584  -1.753  -5.385
  471    HA   ALA  65           HA       ALA  65   7.939  -3.631  -6.654
  472   1HB   ALA  65          2HB       ALA  65   8.433  -1.071  -7.165
  473   2HB   ALA  65          1HB       ALA  65   9.549  -1.766  -8.340
  474   3HB   ALA  65          3HB       ALA  65   7.830  -2.155  -8.419
  475    H    GLY  66           H        GLY  66  11.415  -3.240  -6.679
  476   1HA   GLY  66          2HA       GLY  66  11.974  -4.891  -8.932
  477   2HA   GLY  66          1HA       GLY  66  13.106  -4.482  -7.643
  478    H    ARG  67           H        ARG  67  11.633  -5.478  -5.462
  479    HA   ARG  67           HA       ARG  67  11.333  -8.354  -6.033
  480   1HB   ARG  67          2HB       ARG  67  13.349  -7.076  -4.249
  481   2HB   ARG  67          1HB       ARG  67  12.578  -8.555  -3.676
  482   1HG   ARG  67          2HG       ARG  67  13.526  -9.854  -5.322
  483   2HG   ARG  67          1HG       ARG  67  13.545  -8.536  -6.496
  484   1HD   ARG  67          2HD       ARG  67  15.594  -7.799  -5.830
  485   2HD   ARG  67          1HD       ARG  67  15.270  -8.121  -4.130
  486    HE   ARG  67           HE       ARG  67  15.541 -10.609  -5.328
  487   1HH1  ARG  67          1HH2      ARG  67  17.355  -8.623  -3.464
  488   2HH1  ARG  67          2HH2      ARG  67  18.904  -9.051  -4.110
  489   1HH2  ARG  67          2HH1      ARG  67  17.595 -10.787  -6.811
  490   2HH2  ARG  67          1HH1      ARG  67  19.040 -10.275  -6.004
  491    H    VAL  68           H        VAL  68   9.063  -7.296  -5.796
  492    HA   VAL  68           HA       VAL  68   8.314  -7.010  -2.969
  493    HB   VAL  68           HB       VAL  68   7.490  -5.289  -4.567
  494   1HG1  VAL  68          2HG1      VAL  68   7.200  -7.028  -6.456
  495   2HG1  VAL  68          1HG1      VAL  68   5.656  -7.402  -5.689
  496   3HG1  VAL  68          3HG1      VAL  68   5.966  -5.777  -6.301
  497   1HG2  VAL  68          3HG2      VAL  68   5.787  -6.982  -2.845
  498   2HG2  VAL  68          2HG2      VAL  68   6.035  -5.237  -2.820
  499   3HG2  VAL  68          1HG2      VAL  68   4.912  -5.950  -3.976
  500    H    ASP  69           H        ASP  69   7.792  -8.796  -1.933
  501    HA   ASP  69           HA       ASP  69   6.673 -11.076  -3.404
  502   1HB   ASP  69          2HB       ASP  69   8.581 -11.385  -1.779
  503   2HB   ASP  69          1HB       ASP  69   7.458 -10.958  -0.487
  504    H    THR  70           H        THR  70   5.858  -8.686  -0.981
  505    HA   THR  70           HA       THR  70   3.202  -9.913  -0.615
  506    HB   THR  70           HB       THR  70   3.137  -7.907   1.137
  507    HG1  THR  70           HG1      THR  70   5.104  -7.310   1.800
  508   1HG2  THR  70          3HG2      THR  70   4.419 -10.620   1.329
  509   2HG2  THR  70          2HG2      THR  70   4.373  -9.563   2.740
  510   3HG2  THR  70          1HG2      THR  70   2.870 -10.077   1.973
  511    HA   PRO  71           HA       PRO  71   1.506  -6.692  -3.153
  512   1HB   PRO  71          2HB       PRO  71  -1.111  -6.861  -2.408
  513   2HB   PRO  71          1HB       PRO  71  -0.313  -8.055  -3.438
  514   1HG   PRO  71          2HG       PRO  71  -1.096  -8.258  -0.588
  515   2HG   PRO  71          1HG       PRO  71  -0.932  -9.533  -1.806
  516   1HD   PRO  71          2HD       PRO  71   0.936  -8.913   0.224
  517   2HD   PRO  71          1HD       PRO  71   1.226  -9.960  -1.185
  518    H    ARG  72           H        ARG  72   0.413  -6.712   0.229
  519    HA   ARG  72           HA       ARG  72  -0.520  -4.070   0.382
  520   1HB   ARG  72          2HB       ARG  72  -0.603  -6.084   2.102
  521   2HB   ARG  72          1HB       ARG  72   0.832  -5.287   2.750
  522   1HG   ARG  72          2HG       ARG  72  -0.339  -3.447   3.455
  523   2HG   ARG  72          1HG       ARG  72  -1.479  -3.527   2.112
  524   1HD   ARG  72          2HD       ARG  72  -2.482  -5.572   3.192
  525   2HD   ARG  72          1HD       ARG  72  -1.451  -5.271   4.588
  526    HE   ARG  72           HE       ARG  72  -2.667  -2.949   4.507
  527   1HH1  ARG  72          1HH2      ARG  72  -4.845  -3.264   2.775
  528   2HH1  ARG  72          2HH2      ARG  72  -6.078  -4.079   3.679
  529   1HH2  ARG  72          2HH1      ARG  72  -3.902  -5.223   6.124
  530   2HH2  ARG  72          1HH1      ARG  72  -5.544  -5.188   5.573
  531    H    GLU  73           H        GLU  73   2.717  -5.281   0.195
  532    HA   GLU  73           HA       GLU  73   3.997  -3.057   1.481
  533   1HB   GLU  73          2HB       GLU  73   4.977  -5.400   1.088
  534   2HB   GLU  73          1HB       GLU  73   5.287  -4.857  -0.562
  535   1HG   GLU  73          2HG       GLU  73   7.282  -4.267   0.493
  536   2HG   GLU  73          1HG       GLU  73   6.358  -2.770   0.636
  537    H    LEU  74           H        LEU  74   3.268  -3.948  -1.873
  538    HA   LEU  74           HA       LEU  74   4.640  -1.868  -3.170
  539   1HB   LEU  74          2HB       LEU  74   2.787  -3.920  -3.895
  540   2HB   LEU  74          1HB       LEU  74   2.196  -2.407  -4.577
  541    HG   LEU  74           HG       LEU  74   5.111  -3.039  -4.840
  542   1HD1  LEU  74          2HD1      LEU  74   3.907  -5.126  -5.486
  543   2HD1  LEU  74          1HD1      LEU  74   2.949  -4.190  -6.632
  544   3HD1  LEU  74          3HD1      LEU  74   4.690  -4.350  -6.862
  545   1HD2  LEU  74          2HD2      LEU  74   3.013  -1.395  -6.179
  546   2HD2  LEU  74          1HD2      LEU  74   4.696  -1.000  -5.830
  547   3HD2  LEU  74          3HD2      LEU  74   4.301  -2.035  -7.202
  548    H    LEU  75           H        LEU  75   1.201  -2.040  -2.235
  549    HA   LEU  75           HA       LEU  75   0.467   0.566  -2.955
  550   1HB   LEU  75          2HB       LEU  75  -1.171  -1.165  -2.366
  551   2HB   LEU  75          1HB       LEU  75  -0.593  -1.169  -0.704
  552    HG   LEU  75           HG       LEU  75  -1.171   1.460  -0.935
  553   1HD1  LEU  75          1HD1      LEU  75  -3.060   0.030  -2.816
  554   2HD1  LEU  75          3HD1      LEU  75  -3.309   1.655  -2.190
  555   3HD1  LEU  75          2HD1      LEU  75  -1.935   1.320  -3.239
  556   1HD2  LEU  75          3HD2      LEU  75  -2.044  -0.324   0.680
  557   2HD2  LEU  75          2HD2      LEU  75  -3.154   0.994   0.304
  558   3HD2  LEU  75          1HD2      LEU  75  -3.356  -0.578  -0.471
  559    H    ASP  76           H        ASP  76   1.602  -0.664   0.190
  560    HA   ASP  76           HA       ASP  76   1.428   1.748   1.601
  561   1HB   ASP  76          2HB       ASP  76   1.928  -0.671   2.438
  562   2HB   ASP  76          1HB       ASP  76   3.614  -0.219   2.181
  563    H    LEU  77           H        LEU  77   3.783   0.733  -0.743
  564    HA   LEU  77           HA       LEU  77   5.820   2.579   0.140
  565   1HB   LEU  77          2HB       LEU  77   5.982   0.367  -1.357
  566   2HB   LEU  77          1HB       LEU  77   5.834   1.552  -2.653
  567    HG   LEU  77           HG       LEU  77   8.190   1.196  -2.140
  568   1HD1  LEU  77          3HD1      LEU  77   7.291   3.537  -2.652
  569   2HD1  LEU  77          2HD1      LEU  77   7.438   3.857  -0.924
  570   3HD1  LEU  77          1HD1      LEU  77   8.872   3.461  -1.872
  571   1HD2  LEU  77          2HD2      LEU  77   7.485   0.629   0.358
  572   2HD2  LEU  77          1HD2      LEU  77   9.097   1.243  -0.008
  573   3HD2  LEU  77          3HD2      LEU  77   7.855   2.335   0.607
  574    H    ILE  78           H        ILE  78   4.063   2.391  -2.950
  575    HA   ILE  78           HA       ILE  78   4.681   4.912  -3.916
  576    HB   ILE  78           HB       ILE  78   2.081   3.409  -4.320
  577   1HG1  ILE  78          2HG1      ILE  78   4.244   3.348  -6.351
  578   2HG1  ILE  78          1HG1      ILE  78   4.594   2.481  -4.857
  579   1HG2  ILE  78          3HG2      ILE  78   3.427   5.673  -5.805
  580   2HG2  ILE  78          2HG2      ILE  78   2.226   4.633  -6.570
  581   3HG2  ILE  78          1HG2      ILE  78   1.783   5.612  -5.173
  582   1HD1  ILE  78          1HD1      ILE  78   1.919   2.087  -6.141
  583   2HD1  ILE  78          3HD1      ILE  78   3.319   1.277  -6.843
  584   3HD1  ILE  78          2HD1      ILE  78   2.868   0.964  -5.168
  585    H    ASN  79           H        ASN  79   2.067   4.013  -1.715
  586    HA   ASN  79           HA       ASN  79   0.674   6.461  -1.729
  587   1HB   ASN  79          2HB       ASN  79   0.283   4.046  -0.515
  588   2HB   ASN  79          1HB       ASN  79   0.757   5.038   0.860
  589   1HD2  ASN  79          2HD2      ASN  79  -2.950   5.342   0.300
  590   2HD2  ASN  79          1HD2      ASN  79  -1.908   4.028   0.562
  591    H    GLY  80           H        GLY  80   3.333   5.284   0.302
  592   1HA   GLY  80          2HA       GLY  80   3.478   7.477   2.063
  593   2HA   GLY  80          1HA       GLY  80   4.809   6.386   1.685
  594    H    ALA  81           H        ALA  81   4.832   6.940  -1.143
  595    HA   ALA  81           HA       ALA  81   6.619   9.127  -1.201
  596   1HB   ALA  81          3HB       ALA  81   6.201   7.119  -2.896
  597   2HB   ALA  81          2HB       ALA  81   5.192   8.326  -3.695
  598   3HB   ALA  81          1HB       ALA  81   6.907   8.643  -3.432
  599    H    LEU  82           H        LEU  82   3.222   8.821  -2.183
  600    HA   LEU  82           HA       LEU  82   2.935  11.468  -3.159
  601   1HB   LEU  82          2HB       LEU  82   1.001   9.367  -2.226
  602   2HB   LEU  82          1HB       LEU  82   0.437  10.993  -2.610
  603    HG   LEU  82           HG       LEU  82   2.234   9.587  -4.556
  604   1HD1  LEU  82          1HD1      LEU  82   0.365   8.008  -3.874
  605   2HD1  LEU  82          3HD1      LEU  82  -0.770   9.207  -4.495
  606   3HD1  LEU  82          2HD1      LEU  82   0.388   8.443  -5.583
  607   1HD2  LEU  82          1HD2      LEU  82   1.391  12.027  -4.687
  608   2HD2  LEU  82          3HD2      LEU  82   1.188  11.028  -6.126
  609   3HD2  LEU  82          2HD2      LEU  82  -0.184  11.328  -5.059
  610    H    ALA  83           H        ALA  83   2.722  10.059   0.041
  611    HA   ALA  83           HA       ALA  83   1.380  12.161   1.362
  612   1HB   ALA  83          2HB       ALA  83   3.352  10.089   2.320
  613   2HB   ALA  83          1HB       ALA  83   2.640  11.281   3.407
  614   3HB   ALA  83          3HB       ALA  83   1.605  10.128   2.563
  615    H    GLU  84           H        GLU  84   4.816  11.571   0.739
  616    HA   GLU  84           HA       GLU  84   5.472  14.215   1.857
  617   1HB   GLU  84          2HB       GLU  84   7.047  11.732   1.290
  618   2HB   GLU  84          1HB       GLU  84   7.879  13.289   1.305
  619   1HG   GLU  84          2HG       GLU  84   7.121  13.740   3.562
  620   2HG   GLU  84          1HG       GLU  84   6.101  12.301   3.551
  621    H    ALA  85           H        ALA  85   4.067  13.910  -0.675
  622    HA   ALA  85           HA       ALA  85   6.122  14.915  -2.552
  623   1HB   ALA  85          1HB       ALA  85   4.915  12.860  -3.289
  624   2HB   ALA  85          3HB       ALA  85   3.403  13.765  -3.218
  625   3HB   ALA  85          2HB       ALA  85   4.659  14.234  -4.364
  626    H    ALA  86           HN       ALA  86   2.753  15.340  -1.499
  627    HA   ALA  86           HA       ALA  86   2.978  18.199  -1.532
  628   1HB   ALA  86          3HB       ALA  86   2.662  17.507  -4.006
  629   2HB   ALA  86          2HB       ALA  86   1.010  17.109  -3.531
  630   3HB   ALA  86          1HB       ALA  86   1.605  18.760  -3.356
   
  No H/Q in entry =         630
  Start of MODEL   10
    1   1H    MET   1          2H        MET   1  -5.929  16.639   2.286
    2   2H    MET   1          1H        MET   1  -6.353  17.624   3.604
    3   3H    MET   1          3H        MET   1  -4.719  17.391   3.212
    4    HA   MET   1           HA       MET   1  -4.854  15.068   3.795
    5   1HB   MET   1          2HB       MET   1  -4.395  16.852   5.538
    6   2HB   MET   1          1HB       MET   1  -6.099  16.754   5.982
    7   1HG   MET   1          2HG       MET   1  -5.152  15.232   7.473
    8   2HG   MET   1          1HG       MET   1  -5.613  14.172   6.140
    9   1HE   MET   1          2HE       MET   1  -4.318  12.823   7.557
   10   2HE   MET   1          1HE       MET   1  -2.970  12.154   6.639
   11   3HE   MET   1          3HE       MET   1  -2.665  13.113   8.094
   12    H    ALA   2           H        ALA   2  -6.488  14.061   2.481
   13    HA   ALA   2           HA       ALA   2  -8.973  13.559   3.994
   14   1HB   ALA   2          2HB       ALA   2  -8.724  14.281   1.076
   15   2HB   ALA   2          1HB       ALA   2 -10.115  13.392   1.699
   16   3HB   ALA   2          3HB       ALA   2  -9.762  15.011   2.301
   17    H    THR   3           H        THR   3  -7.692  12.465   0.859
   18    HA   THR   3           HA       THR   3  -7.013   9.851   1.888
   19    HB   THR   3           HB       THR   3  -9.149   9.842  -0.218
   20    HG1  THR   3           HG1      THR   3 -10.266  10.819   1.337
   21   1HG2  THR   3          3HG2      THR   3  -8.210   7.901   1.909
   22   2HG2  THR   3          2HG2      THR   3  -9.553   7.599   0.806
   23   3HG2  THR   3          1HG2      THR   3  -7.917   7.782   0.174
   24    H    LEU   4           H        LEU   4  -5.230   9.335   0.826
   25    HA   LEU   4           HA       LEU   4  -4.745  10.477  -1.831
   26   1HB   LEU   4          2HB       LEU   4  -2.985   9.136   0.216
   27   2HB   LEU   4          1HB       LEU   4  -2.440   9.389  -1.443
   28    HG   LEU   4           HG       LEU   4  -3.157  11.844  -1.113
   29   1HD1  LEU   4          3HD1      LEU   4  -3.211  10.793   1.722
   30   2HD1  LEU   4          2HD1      LEU   4  -2.956  12.500   1.358
   31   3HD1  LEU   4          1HD1      LEU   4  -4.459  11.712   0.878
   32   1HD2  LEU   4          3HD2      LEU   4  -0.812  10.461   0.153
   33   2HD2  LEU   4          2HD2      LEU   4  -0.849  11.540  -1.241
   34   3HD2  LEU   4          1HD2      LEU   4  -1.010  12.198   0.387
   35    H    LEU   5           H        LEU   5  -3.879   7.324  -0.420
   36    HA   LEU   5           HA       LEU   5  -5.124   6.008  -2.752
   37   1HB   LEU   5          2HB       LEU   5  -2.366   6.250  -2.397
   38   2HB   LEU   5          1HB       LEU   5  -2.726   4.626  -1.813
   39    HG   LEU   5           HG       LEU   5  -4.031   4.247  -3.948
   40   1HD1  LEU   5          1HD1      LEU   5  -4.332   6.687  -4.445
   41   2HD1  LEU   5          3HD1      LEU   5  -2.609   6.781  -4.816
   42   3HD1  LEU   5          2HD1      LEU   5  -3.670   5.777  -5.804
   43   1HD2  LEU   5          2HD2      LEU   5  -1.406   3.869  -3.431
   44   2HD2  LEU   5          1HD2      LEU   5  -2.141   3.439  -4.975
   45   3HD2  LEU   5          3HD2      LEU   5  -1.271   4.965  -4.808
   46    H    THR   6           H        THR   6  -5.928   3.930  -2.378
   47    HA   THR   6           HA       THR   6  -5.923   3.036   0.441
   48    HB   THR   6           HB       THR   6  -8.061   4.099   0.096
   49    HG1  THR   6           HG1      THR   6  -9.076   2.465   0.918
   50   1HG2  THR   6          3HG2      THR   6  -7.808   2.850  -2.557
   51   2HG2  THR   6          2HG2      THR   6  -9.419   2.724  -1.853
   52   3HG2  THR   6          1HG2      THR   6  -8.676   4.307  -2.075
   53    H    THR   7           H        THR   7  -6.759   0.738   0.622
   54    HA   THR   7           HA       THR   7  -5.152  -1.004  -0.888
   55    HB   THR   7           HB       THR   7  -7.688  -1.773   0.563
   56    HG1  THR   7           HG1      THR   7  -6.692  -1.015   2.236
   57   1HG2  THR   7          2HG2      THR   7  -6.174  -3.342  -0.955
   58   2HG2  THR   7          1HG2      THR   7  -5.173  -3.376   0.496
   59   3HG2  THR   7          3HG2      THR   7  -6.849  -3.920   0.568
   60    H    ASP   8           H        ASP   8  -8.598  -0.213  -1.148
   61    HA   ASP   8           HA       ASP   8  -9.315  -1.988  -3.187
   62   1HB   ASP   8          2HB       ASP   8 -10.323   0.847  -2.836
   63   2HB   ASP   8          1HB       ASP   8 -11.143  -0.461  -3.690
   64    H    ASP   9           H        ASP   9  -7.538   1.015  -3.281
   65    HA   ASP   9           HA       ASP   9  -7.674   1.443  -6.099
   66   1HB   ASP   9          2HB       ASP   9  -7.044   3.188  -4.373
   67   2HB   ASP   9          1HB       ASP   9  -5.483   2.379  -4.237
   68    H    LEU  10           H        LEU  10  -5.372  -0.180  -3.930
   69    HA   LEU  10           HA       LEU  10  -3.375  -0.717  -5.829
   70   1HB   LEU  10          2HB       LEU  10  -2.360  -1.976  -4.202
   71   2HB   LEU  10          1HB       LEU  10  -3.518  -1.139  -3.180
   72    HG   LEU  10           HG       LEU  10  -5.060  -3.220  -3.751
   73   1HD1  LEU  10          1HD1      LEU  10  -2.946  -3.939  -5.274
   74   2HD1  LEU  10          3HD1      LEU  10  -2.496  -4.727  -3.761
   75   3HD1  LEU  10          2HD1      LEU  10  -4.034  -5.114  -4.534
   76   1HD2  LEU  10          2HD2      LEU  10  -2.701  -3.346  -1.847
   77   2HD2  LEU  10          1HD2      LEU  10  -4.292  -2.677  -1.492
   78   3HD2  LEU  10          3HD2      LEU  10  -4.110  -4.407  -1.777
   79    H    ARG  11           H        ARG  11  -6.371  -2.374  -5.085
   80    HA   ARG  11           HA       ARG  11  -5.917  -4.694  -6.672
   81   1HB   ARG  11          2HB       ARG  11  -7.827  -3.996  -4.883
   82   2HB   ARG  11          1HB       ARG  11  -8.704  -3.721  -6.387
   83   1HG   ARG  11          2HG       ARG  11  -7.845  -6.048  -7.100
   84   2HG   ARG  11          1HG       ARG  11  -7.449  -6.282  -5.398
   85   1HD   ARG  11          2HD       ARG  11  -9.722  -7.141  -6.018
   86   2HD   ARG  11          1HD       ARG  11  -9.749  -5.923  -4.746
   87    HE   ARG  11           HE       ARG  11 -10.626  -4.354  -6.337
   88   1HH1  ARG  11          1HH2      ARG  11  -9.889  -4.701  -8.957
   89   2HH1  ARG  11          2HH2      ARG  11 -11.058  -5.741  -9.700
   90   1HH2  ARG  11          2HH1      ARG  11 -12.288  -6.947  -6.690
   91   2HH2  ARG  11          1HH1      ARG  11 -12.417  -7.012  -8.416
   92    H    ARG  12           H        ARG  12  -7.690  -1.678  -7.285
   93    HA   ARG  12           HA       ARG  12  -8.560  -2.227  -9.886
   94   1HB   ARG  12          2HB       ARG  12  -8.092   0.242  -8.295
   95   2HB   ARG  12          1HB       ARG  12  -8.237   0.432 -10.042
   96   1HG   ARG  12          2HG       ARG  12 -10.254  -1.371  -8.864
   97   2HG   ARG  12          1HG       ARG  12 -10.365   0.296  -8.300
   98   1HD   ARG  12          2HD       ARG  12 -10.103  -0.365 -11.232
   99   2HD   ARG  12          1HD       ARG  12 -11.672  -0.311 -10.435
  100    HE   ARG  12           HE       ARG  12 -10.199   2.070  -9.896
  101   1HH1  ARG  12          2HH1      ARG  12 -13.101   1.325 -11.051
  102   2HH1  ARG  12          1HH1      ARG  12 -13.099   2.350 -12.448
  103   1HH2  ARG  12          1HH2      ARG  12  -9.698   3.012 -12.283
  104   2HH2  ARG  12          2HH2      ARG  12 -11.171   3.305 -13.145
  105    H    ALA  13           H        ALA  13  -5.410  -1.279  -8.714
  106    HA   ALA  13           HA       ALA  13  -4.412  -0.533 -11.331
  107   1HB   ALA  13          2HB       ALA  13  -2.981  -1.013  -8.706
  108   2HB   ALA  13          1HB       ALA  13  -2.214  -0.408 -10.175
  109   3HB   ALA  13          3HB       ALA  13  -3.459   0.549  -9.372
  110    H    LEU  14           H        LEU  14  -4.440  -3.365  -9.272
  111    HA   LEU  14           HA       LEU  14  -2.458  -4.833 -10.727
  112   1HB   LEU  14          2HB       LEU  14  -4.424  -5.432  -8.573
  113   2HB   LEU  14          1HB       LEU  14  -3.816  -6.793  -9.517
  114    HG   LEU  14           HG       LEU  14  -1.782  -4.825  -8.614
  115   1HD1  LEU  14          1HD1      LEU  14  -3.575  -5.403  -6.712
  116   2HD1  LEU  14          3HD1      LEU  14  -2.606  -6.873  -6.604
  117   3HD1  LEU  14          2HD1      LEU  14  -1.850  -5.299  -6.357
  118   1HD2  LEU  14          2HD2      LEU  14  -2.030  -7.831  -8.853
  119   2HD2  LEU  14          1HD2      LEU  14  -1.011  -6.748  -9.801
  120   3HD2  LEU  14          3HD2      LEU  14  -0.630  -7.059  -8.107
  121    H    VAL  15           H        VAL  15  -5.884  -4.307 -11.103
  122    HA   VAL  15           HA       VAL  15  -6.170  -6.520 -12.988
  123    HB   VAL  15           HB       VAL  15  -8.203  -4.407 -12.237
  124   1HG1  VAL  15          2HG1      VAL  15  -8.209  -6.933 -13.837
  125   2HG1  VAL  15          1HG1      VAL  15  -9.641  -6.560 -12.877
  126   3HG1  VAL  15          3HG1      VAL  15  -9.088  -5.429 -14.112
  127   1HG2  VAL  15          2HG2      VAL  15  -7.271  -6.886 -10.868
  128   2HG2  VAL  15          1HG2      VAL  15  -7.958  -5.414 -10.180
  129   3HG2  VAL  15          3HG2      VAL  15  -9.014  -6.617 -10.923
  130    H    GLU  16           H        GLU  16  -5.966  -3.008 -12.952
  131    HA   GLU  16           HA       GLU  16  -6.734  -2.504 -15.615
  132   1HB   GLU  16          2HB       GLU  16  -5.083  -1.035 -13.597
  133   2HB   GLU  16          1HB       GLU  16  -5.073  -0.484 -15.273
  134   1HG   GLU  16          2HG       GLU  16  -7.415  -0.098 -15.275
  135   2HG   GLU  16          1HG       GLU  16  -7.650  -1.030 -13.796
  136    H    CYS  17           H        CYS  17  -3.720  -3.604 -14.213
  137    HA   CYS  17           HA       CYS  17  -2.169  -3.187 -16.612
  138   1HB   CYS  17          2HB       CYS  17  -1.676  -4.483 -13.957
  139   2HB   CYS  17          1HB       CYS  17  -0.592  -4.835 -15.303
  140    HG   CYS  17           HG       CYS  17   0.353  -2.540 -15.156
  141    H    ALA  18           H        ALA  18  -3.717  -5.939 -15.004
  142    HA   ALA  18           HA       ALA  18  -3.810  -7.357 -17.558
  143   1HB   ALA  18          3HB       ALA  18  -2.513  -8.560 -15.100
  144   2HB   ALA  18          2HB       ALA  18  -2.872  -9.425 -16.594
  145   3HB   ALA  18          1HB       ALA  18  -1.686  -8.119 -16.594
  146    H    GLY  19           H        GLY  19  -6.047  -7.103 -17.429
  147   1HA   GLY  19          2HA       GLY  19  -7.431  -8.323 -15.136
  148   2HA   GLY  19          1HA       GLY  19  -8.169  -7.286 -16.352
  149    H    GLU  20           H        GLU  20  -7.662 -10.463 -15.348
  150    HA   GLU  20           HA       GLU  20  -8.779 -11.479 -17.890
  151   1HB   GLU  20          2HB       GLU  20  -7.469 -13.565 -17.544
  152   2HB   GLU  20          1HB       GLU  20  -6.453 -12.151 -17.819
  153   1HG   GLU  20          2HG       GLU  20  -5.758 -12.044 -15.594
  154   2HG   GLU  20          1HG       GLU  20  -7.171 -12.923 -15.009
  155    H    THR  21           H        THR  21 -10.111 -10.665 -15.473
  156    HA   THR  21           HA       THR  21 -11.887 -12.824 -15.123
  157    HB   THR  21           HB       THR  21 -10.139 -13.899 -13.836
  158    HG1  THR  21           HG1      THR  21 -11.242 -14.033 -11.864
  159   1HG2  THR  21          3HG2      THR  21  -9.129 -11.488 -13.326
  160   2HG2  THR  21          2HG2      THR  21 -10.070 -11.672 -11.845
  161   3HG2  THR  21          1HG2      THR  21  -8.823 -12.851 -12.250
  162    H    ASP  22           H        ASP  22 -13.713 -11.773 -14.815
  163    HA   ASP  22           HA       ASP  22 -13.688  -9.225 -13.340
  164   1HB   ASP  22          2HB       ASP  22 -14.758  -9.561 -15.700
  165   2HB   ASP  22          1HB       ASP  22 -16.081 -10.303 -14.798
  166    H    GLY  23           H        GLY  23 -13.494 -11.823 -12.006
  167   1HA   GLY  23          2HA       GLY  23 -15.966 -11.659 -10.387
  168   2HA   GLY  23          1HA       GLY  23 -15.256 -13.212 -10.823
  169    H    THR  24           H        THR  24 -15.024 -10.423  -8.785
  170    HA   THR  24           HA       THR  24 -13.080 -11.834  -7.102
  171    HB   THR  24           HB       THR  24 -12.668  -8.915  -7.228
  172    HG1  THR  24           HG1      THR  24 -12.755  -9.086  -9.371
  173   1HG2  THR  24          1HG2      THR  24 -11.105 -11.427  -6.883
  174   2HG2  THR  24          3HG2      THR  24 -10.247 -10.022  -7.516
  175   3HG2  THR  24          2HG2      THR  24 -11.051  -9.931  -5.949
  176    H    ASP  25           H        ASP  25 -13.878 -11.976  -5.162
  177    HA   ASP  25           HA       ASP  25 -15.464  -9.756  -4.046
  178   1HB   ASP  25          2HB       ASP  25 -16.982 -11.452  -2.992
  179   2HB   ASP  25          1HB       ASP  25 -17.117 -11.373  -4.749
  180    H    LEU  26           H        LEU  26 -13.668  -9.162  -2.805
  181    HA   LEU  26           HA       LEU  26 -13.091 -10.995  -0.560
  182   1HB   LEU  26          2HB       LEU  26 -11.085  -9.229  -1.988
  183   2HB   LEU  26          1HB       LEU  26 -10.760 -10.203  -0.553
  184    HG   LEU  26           HG       LEU  26 -11.963 -11.589  -2.905
  185   1HD1  LEU  26          3HD1      LEU  26  -9.292 -10.278  -2.872
  186   2HD1  LEU  26          2HD1      LEU  26  -9.352 -11.932  -3.478
  187   3HD1  LEU  26          1HD1      LEU  26 -10.333 -10.679  -4.238
  188   1HD2  LEU  26          2HD2      LEU  26 -10.245 -12.182  -0.542
  189   2HD2  LEU  26          1HD2      LEU  26 -11.574 -13.116  -1.227
  190   3HD2  LEU  26          3HD2      LEU  26  -9.982 -13.162  -1.984
  191    H    SER  27           H        SER  27 -14.088 -10.059   1.103
  192    HA   SER  27           HA       SER  27 -14.099  -7.135   1.353
  193   1HB   SER  27          2HB       SER  27 -15.570  -7.830   3.427
  194   2HB   SER  27          1HB       SER  27 -16.247  -7.865   1.801
  195    HG   SER  27           HG       SER  27 -15.174 -10.022   3.304
  196    H    GLY  28           H        GLY  28 -11.782  -7.101   1.815
  197   1HA   GLY  28          2HA       GLY  28 -10.103  -6.681   3.347
  198   2HA   GLY  28          1HA       GLY  28 -11.283  -6.944   4.627
  199    H    ASP  29           H        ASP  29  -9.933  -9.020   2.058
  200    HA   ASP  29           HA       ASP  29  -8.489 -10.670   3.907
  201   1HB   ASP  29          2HB       ASP  29 -11.062 -11.286   4.058
  202   2HB   ASP  29          1HB       ASP  29 -10.704 -12.173   2.575
  203    H    PHE  30           H        PHE  30  -7.351  -9.507   1.902
  204    HA   PHE  30           HA       PHE  30  -6.708 -11.678   0.078
  205   1HB   PHE  30          2HB       PHE  30  -7.114 -10.466  -1.957
  206   2HB   PHE  30          1HB       PHE  30  -8.597 -10.438  -1.013
  207    HD1  PHE  30           HD1      PHE  30  -8.569  -8.318   0.790
  208    HD2  PHE  30           HD2      PHE  30  -6.590  -8.469  -3.021
  209    HE1  PHE  30           HE1      PHE  30  -8.584  -5.848   0.684
  210    HE2  PHE  30           HE2      PHE  30  -6.607  -5.996  -3.123
  211    HZ   PHE  30           HZ       PHE  30  -7.606  -4.686  -1.273
  212    H    LEU  31           H        LEU  31  -5.381 -10.170   2.213
  213    HA   LEU  31           HA       LEU  31  -3.076  -9.236   0.637
  214   1HB   LEU  31          2HB       LEU  31  -4.150  -7.846   3.099
  215   2HB   LEU  31          1HB       LEU  31  -2.722  -7.376   2.172
  216    HG   LEU  31           HG       LEU  31  -5.472  -7.604   0.936
  217   1HD1  LEU  31          3HD1      LEU  31  -4.882  -5.778   2.866
  218   2HD1  LEU  31          2HD1      LEU  31  -4.329  -4.922   1.426
  219   3HD1  LEU  31          1HD1      LEU  31  -6.001  -5.479   1.536
  220   1HD2  LEU  31          3HD2      LEU  31  -2.891  -6.255   0.080
  221   2HD2  LEU  31          2HD2      LEU  31  -3.573  -7.726  -0.615
  222   3HD2  LEU  31          1HD2      LEU  31  -4.411  -6.187  -0.812
  223    H    ASP  32           H        ASP  32  -2.523 -11.495   1.159
  224    HA   ASP  32           HA       ASP  32  -0.891 -11.557   3.593
  225   1HB   ASP  32          2HB       ASP  32  -3.107 -13.479   2.944
  226   2HB   ASP  32          1HB       ASP  32  -1.673 -14.052   3.796
  227    H    LEU  33           H        LEU  33  -1.937 -13.323   0.706
  228    HA   LEU  33           HA       LEU  33   0.801 -13.571  -0.221
  229   1HB   LEU  33          2HB       LEU  33   0.623 -16.050  -0.500
  230   2HB   LEU  33          1HB       LEU  33   0.693 -15.549   1.189
  231    HG   LEU  33           HG       LEU  33  -2.020 -15.724  -0.009
  232   1HD1  LEU  33          1HD1      LEU  33  -0.366 -18.179   0.658
  233   2HD1  LEU  33          3HD1      LEU  33  -2.097 -18.179   0.322
  234   3HD1  LEU  33          2HD1      LEU  33  -0.954 -17.733  -0.945
  235   1HD2  LEU  33          3HD2      LEU  33  -0.650 -16.074   2.611
  236   2HD2  LEU  33          2HD2      LEU  33  -2.188 -15.294   2.242
  237   3HD2  LEU  33          1HD2      LEU  33  -2.092 -17.053   2.342
  238    H    ARG  34           H        ARG  34  -1.081 -12.066  -1.330
  239    HA   ARG  34           HA       ARG  34  -2.687 -13.464  -3.267
  240   1HB   ARG  34          2HB       ARG  34  -3.205 -11.187  -2.238
  241   2HB   ARG  34          1HB       ARG  34  -1.982 -10.528  -3.324
  242   1HG   ARG  34          2HG       ARG  34  -3.747 -10.327  -4.761
  243   2HG   ARG  34          1HG       ARG  34  -3.419 -12.031  -5.076
  244   1HD   ARG  34          2HD       ARG  34  -4.991 -12.204  -2.845
  245   2HD   ARG  34          1HD       ARG  34  -5.668 -10.778  -3.626
  246    HE   ARG  34           HE       ARG  34  -5.728 -12.368  -5.691
  247   1HH1  ARG  34          2HH1      ARG  34  -5.154 -14.262  -3.057
  248   2HH1  ARG  34          1HH1      ARG  34  -6.639 -15.152  -3.098
  249   1HH2  ARG  34          1HH2      ARG  34  -8.120 -13.086  -5.456
  250   2HH2  ARG  34          2HH2      ARG  34  -8.318 -14.486  -4.456
  251    H    PHE  35           H        PHE  35   0.288 -11.510  -3.403
  252    HA   PHE  35           HA       PHE  35   0.695 -11.532  -6.161
  253   1HB   PHE  35          2HB       PHE  35   2.476 -11.269  -3.790
  254   2HB   PHE  35          1HB       PHE  35   3.240 -11.604  -5.343
  255    HD1  PHE  35           HD2      PHE  35   0.182  -9.586  -4.519
  256    HD2  PHE  35           HD1      PHE  35   4.186  -9.583  -6.082
  257    HE1  PHE  35           HE2      PHE  35  -0.063  -7.200  -5.147
  258    HE2  PHE  35           HE1      PHE  35   3.937  -7.201  -6.704
  259    HZ   PHE  35           HZ       PHE  35   1.819  -6.009  -6.239
  260    H    GLU  36           H        GLU  36   1.027 -14.129  -3.877
  261    HA   GLU  36           HA       GLU  36   2.492 -15.762  -5.836
  262   1HB   GLU  36          2HB       GLU  36   2.077 -15.902  -2.885
  263   2HB   GLU  36          1HB       GLU  36   2.327 -17.413  -3.762
  264   1HG   GLU  36          2HG       GLU  36   4.146 -15.036  -4.160
  265   2HG   GLU  36          1HG       GLU  36   4.430 -16.213  -2.877
  266    H    ASP  37           H        ASP  37  -0.617 -15.415  -4.288
  267    HA   ASP  37           HA       ASP  37  -1.653 -17.994  -4.864
  268   1HB   ASP  37          2HB       ASP  37  -2.658 -16.347  -3.246
  269   2HB   ASP  37          1HB       ASP  37  -3.239 -15.429  -4.637
  270    H    ILE  38           H        ILE  38  -2.514 -14.898  -6.421
  271    HA   ILE  38           HA       ILE  38  -3.790 -16.020  -8.646
  272    HB   ILE  38           HB       ILE  38  -3.929 -13.636  -7.893
  273   1HG1  ILE  38          2HG1      ILE  38  -4.700 -14.459 -10.156
  274   2HG1  ILE  38          1HG1      ILE  38  -4.333 -12.743 -10.074
  275   1HG2  ILE  38          2HG2      ILE  38  -1.180 -13.496  -9.135
  276   2HG2  ILE  38          1HG2      ILE  38  -2.187 -12.073  -8.872
  277   3HG2  ILE  38          3HG2      ILE  38  -1.659 -13.047  -7.502
  278   1HD1  ILE  38          3HD1      ILE  38  -1.903 -13.891 -10.834
  279   2HD1  ILE  38          2HD1      ILE  38  -3.105 -14.827 -11.716
  280   3HD1  ILE  38          1HD1      ILE  38  -3.044 -13.075 -11.900
  281    H    GLY  39           H        GLY  39  -0.408 -15.347  -8.027
  282   1HA   GLY  39          2HA       GLY  39   1.264 -16.745  -9.102
  283   2HA   GLY  39          1HA       GLY  39   0.267 -16.727 -10.554
  284    H    TYR  40           H        TYR  40   0.807 -13.860  -8.622
  285    HA   TYR  40           HA       TYR  40   1.963 -12.505 -10.917
  286   1HB   TYR  40          2HB       TYR  40   0.696 -11.713  -8.391
  287   2HB   TYR  40          1HB       TYR  40   2.122 -10.747  -8.763
  288    HD1  TYR  40           HD2      TYR  40  -0.845 -12.191 -10.582
  289    HD2  TYR  40           HD1      TYR  40   1.806  -8.852 -10.055
  290    HE1  TYR  40           HE2      TYR  40  -2.136 -10.901 -12.258
  291    HE2  TYR  40           HE1      TYR  40   0.514  -7.562 -11.733
  292    HH   TYR  40           HH       TYR  40  -1.002  -8.129 -13.715
  293    H    ASP  41           H        ASP  41   3.906 -13.871 -10.980
  294    HA   ASP  41           HA       ASP  41   5.803 -13.964  -8.901
  295   1HB   ASP  41          2HB       ASP  41   7.427 -14.575 -10.671
  296   2HB   ASP  41          1HB       ASP  41   5.932 -15.502 -10.797
  297    H    SER  42           H        SER  42   7.914 -12.913  -8.910
  298    HA   SER  42           HA       SER  42   7.685 -10.103  -8.868
  299   1HB   SER  42          2HB       SER  42  10.270 -10.243  -8.741
  300   2HB   SER  42          1HB       SER  42   9.328 -10.967  -7.441
  301    HG   SER  42           HG       SER  42  10.394 -12.706  -7.950
  302    H    LEU  43           H        LEU  43   8.963 -12.314 -11.301
  303    HA   LEU  43           HA       LEU  43  10.164 -10.318 -12.941
  304   1HB   LEU  43          2HB       LEU  43   9.136 -13.044 -13.759
  305   2HB   LEU  43          1HB       LEU  43  10.284 -12.044 -14.651
  306    HG   LEU  43           HG       LEU  43  10.797 -12.929 -11.807
  307   1HD1  LEU  43          1HD1      LEU  43  10.487 -14.923 -13.249
  308   2HD1  LEU  43          3HD1      LEU  43  11.686 -14.283 -14.373
  309   3HD1  LEU  43          2HD1      LEU  43  12.166 -14.744 -12.739
  310   1HD2  LEU  43          2HD2      LEU  43  12.444 -11.776 -14.066
  311   2HD2  LEU  43          1HD2      LEU  43  12.213 -11.122 -12.445
  312   3HD2  LEU  43          3HD2      LEU  43  13.192 -12.571 -12.681
  313    H    ALA  44           H        ALA  44   6.877 -11.293 -12.496
  314    HA   ALA  44           HA       ALA  44   6.010 -10.295 -15.087
  315   1HB   ALA  44          2HB       ALA  44   4.456 -11.324 -12.704
  316   2HB   ALA  44          1HB       ALA  44   3.729 -10.829 -14.233
  317   3HB   ALA  44          3HB       ALA  44   4.828 -12.208 -14.183
  318    H    LEU  45           H        LEU  45   5.695  -9.370 -11.669
  319    HA   LEU  45           HA       LEU  45   4.320  -6.913 -12.371
  320   1HB   LEU  45          2HB       LEU  45   4.196  -6.514  -9.979
  321   2HB   LEU  45          1HB       LEU  45   3.720  -8.168 -10.341
  322    HG   LEU  45           HG       LEU  45   6.420  -8.467  -9.945
  323   1HD1  LEU  45          1HD1      LEU  45   6.167  -5.938  -9.138
  324   2HD1  LEU  45          3HD1      LEU  45   5.611  -6.718  -7.660
  325   3HD1  LEU  45          2HD1      LEU  45   7.224  -7.062  -8.285
  326   1HD2  LEU  45          1HD2      LEU  45   3.964  -8.829  -8.296
  327   2HD2  LEU  45          3HD2      LEU  45   5.153 -10.023  -8.811
  328   3HD2  LEU  45          2HD2      LEU  45   5.507  -8.962  -7.451
  329    H    MET  46           H        MET  46   7.450  -7.720 -12.679
  330    HA   MET  46           HA       MET  46   8.763  -5.533 -11.373
  331   1HB   MET  46          2HB       MET  46   9.909  -7.658 -12.072
  332   2HB   MET  46          1HB       MET  46   9.756  -7.126 -13.747
  333   1HG   MET  46          2HG       MET  46  10.880  -4.926 -12.875
  334   2HG   MET  46          1HG       MET  46  11.406  -5.939 -11.530
  335   1HE   MET  46          2HE       MET  46  13.728  -6.465 -11.590
  336   2HE   MET  46          1HE       MET  46  14.737  -6.363 -13.031
  337   3HE   MET  46          3HE       MET  46  13.783  -4.965 -12.514
  338    H    GLU  47           H        GLU  47   8.283  -6.210 -14.844
  339    HA   GLU  47           HA       GLU  47   8.845  -3.511 -15.608
  340   1HB   GLU  47          2HB       GLU  47   8.721  -5.933 -16.936
  341   2HB   GLU  47          1HB       GLU  47   7.291  -5.095 -17.535
  342   1HG   GLU  47          2HG       GLU  47   9.048  -4.448 -19.003
  343   2HG   GLU  47          1HG       GLU  47   8.832  -3.074 -17.918
  344    H    THR  48           H        THR  48   5.914  -5.384 -15.050
  345    HA   THR  48           HA       THR  48   4.032  -3.558 -16.084
  346    HB   THR  48           HB       THR  48   3.620  -5.381 -13.705
  347    HG1  THR  48           HG1      THR  48   3.275  -5.950 -16.459
  348   1HG2  THR  48          2HG2      THR  48   1.822  -4.044 -15.726
  349   2HG2  THR  48          1HG2      THR  48   1.297  -5.459 -14.814
  350   3HG2  THR  48          3HG2      THR  48   1.733  -3.976 -13.965
  351    H    ALA  49           H        ALA  49   5.401  -3.915 -12.835
  352    HA   ALA  49           HA       ALA  49   3.898  -1.806 -11.653
  353   1HB   ALA  49          2HB       ALA  49   6.540  -3.035 -10.831
  354   2HB   ALA  49          1HB       ALA  49   5.601  -1.916  -9.843
  355   3HB   ALA  49          3HB       ALA  49   4.940  -3.500 -10.252
  356    H    ALA  50           H        ALA  50   6.934  -1.961 -13.399
  357    HA   ALA  50           HA       ALA  50   7.962   0.577 -12.705
  358   1HB   ALA  50          2HB       ALA  50   8.311  -1.022 -15.254
  359   2HB   ALA  50          1HB       ALA  50   9.269   0.389 -14.811
  360   3HB   ALA  50          3HB       ALA  50   9.355  -1.076 -13.833
  361    H    ARG  51           H        ARG  51   5.628  -0.477 -15.108
  362    HA   ARG  51           HA       ARG  51   5.466   2.103 -16.405
  363   1HB   ARG  51          2HB       ARG  51   3.671  -0.330 -16.585
  364   2HB   ARG  51          1HB       ARG  51   3.543   1.103 -17.607
  365   1HG   ARG  51          2HG       ARG  51   6.170   0.558 -17.936
  366   2HG   ARG  51          1HG       ARG  51   5.566  -1.075 -17.645
  367   1HD   ARG  51          2HD       ARG  51   5.531  -0.505 -20.055
  368   2HD   ARG  51          1HD       ARG  51   3.913  -0.809 -19.430
  369    HE   ARG  51           HE       ARG  51   4.636   1.980 -19.341
  370   1HH1  ARG  51          2HH1      ARG  51   2.172   0.059 -20.278
  371   2HH1  ARG  51          1HH1      ARG  51   1.870   0.795 -21.816
  372   1HH2  ARG  51          1HH2      ARG  51   4.791   2.665 -21.789
  373   2HH2  ARG  51          2HH2      ARG  51   3.354   2.272 -22.672
  374    H    LEU  52           H        LEU  52   3.779   0.378 -13.867
  375    HA   LEU  52           HA       LEU  52   1.480   2.041 -13.732
  376   1HB   LEU  52          2HB       LEU  52   2.759   0.015 -11.967
  377   2HB   LEU  52          1HB       LEU  52   1.634   1.143 -11.212
  378    HG   LEU  52           HG       LEU  52   0.966  -0.412 -13.721
  379   1HD1  LEU  52          1HD1      LEU  52   0.684  -1.117 -10.809
  380   2HD1  LEU  52          3HD1      LEU  52  -0.498  -1.705 -11.978
  381   3HD1  LEU  52          2HD1      LEU  52   1.203  -2.138 -12.151
  382   1HD2  LEU  52          2HD2      LEU  52  -0.230   1.800 -12.727
  383   2HD2  LEU  52          1HD2      LEU  52  -1.130   0.517 -13.538
  384   3HD2  LEU  52          3HD2      LEU  52  -1.065   0.571 -11.776
  385    H    GLU  53           H        GLU  53   4.727   2.318 -12.467
  386    HA   GLU  53           HA       GLU  53   4.005   4.556 -10.734
  387   1HB   GLU  53          2HB       GLU  53   6.434   2.876 -11.139
  388   2HB   GLU  53          1HB       GLU  53   6.655   4.512 -10.518
  389   1HG   GLU  53          2HG       GLU  53   6.339   3.299  -8.547
  390   2HG   GLU  53          1HG       GLU  53   4.702   3.861  -8.886
  391    H    SER  54           H        SER  54   3.997   4.582 -13.845
  392    HA   SER  54           HA       SER  54   5.971   6.681 -14.354
  393   1HB   SER  54          2HB       SER  54   5.310   4.713 -15.966
  394   2HB   SER  54          1HB       SER  54   3.953   5.761 -16.373
  395    HG   SER  54           HG       SER  54   6.706   6.472 -16.439
  396    H    ARG  55           H        ARG  55   2.478   6.167 -14.243
  397    HA   ARG  55           HA       ARG  55   1.812   8.873 -14.978
  398   1HB   ARG  55          2HB       ARG  55  -0.066   7.108 -13.430
  399   2HB   ARG  55          1HB       ARG  55  -0.429   8.282 -14.692
  400   1HG   ARG  55          2HG       ARG  55   1.177   6.480 -16.026
  401   2HG   ARG  55          1HG       ARG  55   0.284   5.435 -14.920
  402   1HD   ARG  55          2HD       ARG  55  -0.984   7.471 -16.773
  403   2HD   ARG  55          1HD       ARG  55  -0.886   5.744 -17.101
  404    HE   ARG  55           HE       ARG  55  -2.722   7.049 -15.296
  405   1HH1  ARG  55          2HH1      ARG  55  -2.295   4.265 -17.000
  406   2HH1  ARG  55          1HH1      ARG  55  -2.842   3.170 -15.774
  407   1HH2  ARG  55          1HH2      ARG  55  -2.878   5.571 -13.271
  408   2HH2  ARG  55          2HH2      ARG  55  -3.173   3.909 -13.663
  409    H    TYR  56           H        TYR  56   2.340   7.090 -12.013
  410    HA   TYR  56           HA       TYR  56   1.398   9.225 -10.299
  411   1HB   TYR  56          2HB       TYR  56   2.802   6.599  -9.779
  412   2HB   TYR  56          1HB       TYR  56   2.442   7.754  -8.495
  413    HD1  TYR  56           HD1      TYR  56   0.667   6.220 -11.453
  414    HD2  TYR  56           HD2      TYR  56   0.465   7.408  -7.322
  415    HE1  TYR  56           HE1      TYR  56  -1.655   5.371 -11.317
  416    HE2  TYR  56           HE2      TYR  56  -1.858   6.557  -7.194
  417    HH   TYR  56           HH       TYR  56  -3.698   5.820  -9.899
  418    H    GLY  57           H        GLY  57   4.543   7.736 -11.062
  419   1HA   GLY  57          2HA       GLY  57   6.700   8.527 -10.894
  420   2HA   GLY  57          1HA       GLY  57   6.005  10.109 -11.223
  421    H    VAL  58           H        VAL  58   5.251   8.097  -8.431
  422    HA   VAL  58           HA       VAL  58   6.129  10.263  -6.683
  423    HB   VAL  58           HB       VAL  58   3.869   9.282  -6.392
  424   1HG1  VAL  58          1HG1      VAL  58   4.499   6.939  -7.026
  425   2HG1  VAL  58          3HG1      VAL  58   5.345   6.795  -5.485
  426   3HG1  VAL  58          2HG1      VAL  58   3.600   7.036  -5.513
  427   1HG2  VAL  58          1HG2      VAL  58   5.909   9.002  -4.190
  428   2HG2  VAL  58          3HG2      VAL  58   4.776  10.324  -4.468
  429   3HG2  VAL  58          2HG2      VAL  58   4.186   8.762  -3.904
  430    H    SER  59           H        SER  59   6.672   6.802  -7.218
  431    HA   SER  59           HA       SER  59   8.887   6.835  -5.285
  432   1HB   SER  59          2HB       SER  59   7.005   4.955  -5.626
  433   2HB   SER  59          1HB       SER  59   8.195   4.359  -6.780
  434    HG   SER  59           HG       SER  59   8.380   3.661  -4.494
  435    H    ILE  60           H        ILE  60  10.946   6.913  -5.891
  436    HA   ILE  60           HA       ILE  60  11.553   6.974  -8.733
  437    HB   ILE  60           HB       ILE  60  12.435   8.724  -7.199
  438   1HG1  ILE  60          2HG1      ILE  60  14.917   8.327  -8.035
  439   2HG1  ILE  60          1HG1      ILE  60  14.166   7.020  -8.947
  440   1HG2  ILE  60          1HG2      ILE  60  14.021   6.388  -6.114
  441   2HG2  ILE  60          3HG2      ILE  60  14.514   8.066  -5.896
  442   3HG2  ILE  60          2HG2      ILE  60  12.988   7.501  -5.219
  443   1HD1  ILE  60          2HD1      ILE  60  12.409   8.844  -9.613
  444   2HD1  ILE  60          1HD1      ILE  60  13.673   9.978  -9.137
  445   3HD1  ILE  60          3HD1      ILE  60  13.971   8.818 -10.431
  446    HA   PRO  61           HA       PRO  61  14.247   3.243  -7.486
  447   1HB   PRO  61          2HB       PRO  61  13.414   1.696  -5.396
  448   2HB   PRO  61          1HB       PRO  61  14.541   3.050  -5.228
  449   1HG   PRO  61          2HG       PRO  61  11.706   2.861  -4.422
  450   2HG   PRO  61          1HG       PRO  61  12.988   3.905  -3.795
  451   1HD   PRO  61          2HD       PRO  61  10.923   4.636  -5.620
  452   2HD   PRO  61          1HD       PRO  61  12.312   5.622  -5.125
  453    H    ASP  62           H        ASP  62  14.013   1.412  -8.683
  454    HA   ASP  62           HA       ASP  62  11.271   0.504  -9.252
  455   1HB   ASP  62          2HB       ASP  62  13.873   0.045 -10.731
  456   2HB   ASP  62          1HB       ASP  62  12.313  -0.622 -11.215
  457    H    ASP  63           H        ASP  63  14.371  -0.565  -8.019
  458    HA   ASP  63           HA       ASP  63  13.856  -3.358  -8.048
  459   1HB   ASP  63          2HB       ASP  63  15.682  -1.747  -6.249
  460   2HB   ASP  63          1HB       ASP  63  15.705  -3.502  -6.416
  461    H    VAL  64           H        VAL  64  12.858  -0.789  -5.923
  462    HA   VAL  64           HA       VAL  64  12.354  -2.234  -3.571
  463    HB   VAL  64           HB       VAL  64  12.281   0.232  -3.715
  464   1HG1  VAL  64          2HG1      VAL  64  11.074   0.299  -5.922
  465   2HG1  VAL  64          1HG1      VAL  64   9.598  -0.146  -5.067
  466   3HG1  VAL  64          3HG1      VAL  64  10.401   1.381  -4.705
  467   1HG2  VAL  64          2HG2      VAL  64  10.875  -1.322  -2.051
  468   2HG2  VAL  64          1HG2      VAL  64  10.747   0.437  -2.002
  469   3HG2  VAL  64          3HG2      VAL  64   9.523  -0.513  -2.843
  470    H    ALA  65           H        ALA  65  10.318  -1.671  -6.417
  471    HA   ALA  65           HA       ALA  65   8.127  -3.236  -5.336
  472   1HB   ALA  65          1HB       ALA  65   8.590  -1.976  -8.046
  473   2HB   ALA  65          3HB       ALA  65   7.137  -2.881  -7.622
  474   3HB   ALA  65          2HB       ALA  65   7.531  -1.393  -6.762
  475    H    GLY  66           H        GLY  66  10.831  -3.702  -7.508
  476   1HA   GLY  66          2HA       GLY  66   9.990  -6.050  -8.814
  477   2HA   GLY  66          1HA       GLY  66  11.666  -5.577  -8.552
  478    H    ARG  67           H        ARG  67  11.334  -5.497  -5.627
  479    HA   ARG  67           HA       ARG  67  11.397  -8.409  -5.146
  480   1HB   ARG  67          2HB       ARG  67  13.472  -6.942  -4.718
  481   2HB   ARG  67          1HB       ARG  67  12.584  -6.322  -3.326
  482   1HG   ARG  67          2HG       ARG  67  12.474  -8.462  -2.303
  483   2HG   ARG  67          1HG       ARG  67  12.934  -9.284  -3.795
  484   1HD   ARG  67          2HD       ARG  67  15.147  -8.035  -3.653
  485   2HD   ARG  67          1HD       ARG  67  14.674  -7.555  -2.027
  486    HE   ARG  67           HE       ARG  67  15.058 -10.373  -2.875
  487   1HH1  ARG  67          2HH1      ARG  67  14.159 -11.205  -0.601
  488   2HH1  ARG  67          1HH1      ARG  67  15.187 -10.712   0.704
  489   1HH2  ARG  67          1HH2      ARG  67  16.805  -8.266  -1.146
  490   2HH2  ARG  67          2HH2      ARG  67  16.684  -9.047   0.395
  491    H    VAL  68           H        VAL  68   8.912  -7.713  -5.199
  492    HA   VAL  68           HA       VAL  68   8.118  -7.219  -2.390
  493    HB   VAL  68           HB       VAL  68   7.391  -5.413  -3.922
  494   1HG1  VAL  68          1HG1      VAL  68   7.150  -7.122  -5.885
  495   2HG1  VAL  68          3HG1      VAL  68   5.530  -7.377  -5.239
  496   3HG1  VAL  68          2HG1      VAL  68   6.018  -5.775  -5.787
  497   1HG2  VAL  68          2HG2      VAL  68   5.939  -6.622  -1.974
  498   2HG2  VAL  68          1HG2      VAL  68   5.384  -5.196  -2.851
  499   3HG2  VAL  68          3HG2      VAL  68   4.835  -6.800  -3.338
  500    H    ASP  69           H        ASP  69   7.530  -9.049  -1.447
  501    HA   ASP  69           HA       ASP  69   6.316 -11.185  -3.070
  502   1HB   ASP  69          2HB       ASP  69   6.757 -12.614  -1.071
  503   2HB   ASP  69          1HB       ASP  69   8.217 -11.903  -1.760
  504    H    THR  70           H        THR  70   5.123  -8.612  -1.520
  505    HA   THR  70           HA       THR  70   2.693 -10.059  -0.721
  506    HB   THR  70           HB       THR  70   2.596  -8.231   1.180
  507    HG1  THR  70           HG1      THR  70   5.379  -8.659   0.876
  508   1HG2  THR  70          2HG2      THR  70   2.613 -10.688   1.504
  509   2HG2  THR  70          1HG2      THR  70   4.372 -10.680   1.375
  510   3HG2  THR  70          3HG2      THR  70   3.582  -9.862   2.723
  511    HA   PRO  71           HA       PRO  71   0.865  -6.715  -2.977
  512   1HB   PRO  71          2HB       PRO  71  -1.708  -6.903  -2.084
  513   2HB   PRO  71          1HB       PRO  71  -0.978  -8.051  -3.218
  514   1HG   PRO  71          2HG       PRO  71  -1.600  -8.384  -0.341
  515   2HG   PRO  71          1HG       PRO  71  -1.509  -9.602  -1.621
  516   1HD   PRO  71          2HD       PRO  71   0.471  -9.077   0.330
  517   2HD   PRO  71          1HD       PRO  71   0.677 -10.064  -1.137
  518    H    ARG  72           H        ARG  72  -0.023  -6.870   0.461
  519    HA   ARG  72           HA       ARG  72  -0.934  -4.236   0.782
  520   1HB   ARG  72          2HB       ARG  72  -1.125  -6.138   2.453
  521   2HB   ARG  72          1HB       ARG  72   0.550  -5.804   2.892
  522   1HG   ARG  72          2HG       ARG  72  -0.437  -4.387   4.397
  523   2HG   ARG  72          1HG       ARG  72  -0.446  -3.295   3.012
  524   1HD   ARG  72          2HD       ARG  72  -2.669  -3.274   3.897
  525   2HD   ARG  72          1HD       ARG  72  -2.729  -4.237   2.425
  526    HE   ARG  72           HE       ARG  72  -2.503  -6.219   4.051
  527   1HH1  ARG  72          1HH2      ARG  72  -4.970  -4.029   3.886
  528   2HH1  ARG  72          2HH2      ARG  72  -5.620  -4.316   5.466
  529   1HH2  ARG  72          2HH1      ARG  72  -2.930  -6.239   6.510
  530   2HH2  ARG  72          1HH1      ARG  72  -4.464  -5.568   6.952
  531    H    GLU  73           H        GLU  73   2.292  -5.529   0.534
  532    HA   GLU  73           HA       GLU  73   3.678  -3.331   1.705
  533   1HB   GLU  73          2HB       GLU  73   4.536  -5.731   1.138
  534   2HB   GLU  73          1HB       GLU  73   4.868  -5.045  -0.454
  535   1HG   GLU  73          2HG       GLU  73   6.464  -3.560   0.367
  536   2HG   GLU  73          1HG       GLU  73   5.779  -3.564   1.992
  537    H    LEU  74           H        LEU  74   2.872  -4.208  -1.646
  538    HA   LEU  74           HA       LEU  74   4.163  -2.129  -2.981
  539   1HB   LEU  74          2HB       LEU  74   2.699  -4.198  -3.825
  540   2HB   LEU  74          1HB       LEU  74   1.472  -2.938  -3.966
  541    HG   LEU  74           HG       LEU  74   3.265  -1.564  -5.197
  542   1HD1  LEU  74          3HD1      LEU  74   4.518  -4.324  -5.224
  543   2HD1  LEU  74          2HD1      LEU  74   4.978  -3.035  -6.337
  544   3HD1  LEU  74          1HD1      LEU  74   5.231  -2.836  -4.603
  545   1HD2  LEU  74          1HD2      LEU  74   1.877  -4.023  -6.216
  546   2HD2  LEU  74          3HD2      LEU  74   1.554  -2.329  -6.584
  547   3HD2  LEU  74          2HD2      LEU  74   2.949  -3.137  -7.298
  548    H    LEU  75           H        LEU  75   0.885  -2.210  -1.610
  549    HA   LEU  75           HA       LEU  75   0.091   0.375  -2.427
  550   1HB   LEU  75          2HB       LEU  75  -1.495  -1.314  -1.585
  551   2HB   LEU  75          1HB       LEU  75  -0.763  -1.210   0.013
  552    HG   LEU  75           HG       LEU  75  -1.318   1.403  -0.356
  553   1HD1  LEU  75          3HD1      LEU  75  -2.342   0.607  -2.642
  554   2HD1  LEU  75          2HD1      LEU  75  -3.712   0.139  -1.637
  555   3HD1  LEU  75          1HD1      LEU  75  -3.182   1.820  -1.677
  556   1HD2  LEU  75          1HD2      LEU  75  -2.055  -0.207   1.466
  557   2HD2  LEU  75          3HD2      LEU  75  -3.216   1.059   1.067
  558   3HD2  LEU  75          2HD2      LEU  75  -3.453  -0.579   0.457
  559    H    ASP  76           H        ASP  76   1.562  -0.771   0.594
  560    HA   ASP  76           HA       ASP  76   1.655   1.795   1.817
  561   1HB   ASP  76          2HB       ASP  76   1.933  -0.650   2.813
  562   2HB   ASP  76          1HB       ASP  76   3.643  -0.296   2.568
  563    H    LEU  77           H        LEU  77   3.512   0.502  -0.727
  564    HA   LEU  77           HA       LEU  77   5.948   1.953  -0.077
  565   1HB   LEU  77          2HB       LEU  77   5.072   0.264  -2.414
  566   2HB   LEU  77          1HB       LEU  77   6.560   1.211  -2.463
  567    HG   LEU  77           HG       LEU  77   5.951  -0.654  -0.178
  568   1HD1  LEU  77          2HD1      LEU  77   6.093  -1.610  -2.698
  569   2HD1  LEU  77          1HD1      LEU  77   7.816  -1.517  -2.330
  570   3HD1  LEU  77          3HD1      LEU  77   6.748  -2.484  -1.313
  571   1HD2  LEU  77          3HD2      LEU  77   8.490   0.539  -1.335
  572   2HD2  LEU  77          2HD2      LEU  77   7.718   0.996   0.184
  573   3HD2  LEU  77          1HD2      LEU  77   8.442  -0.603   0.009
  574    H    ILE  78           H        ILE  78   3.773   1.983  -2.892
  575    HA   ILE  78           HA       ILE  78   4.666   4.475  -3.893
  576    HB   ILE  78           HB       ILE  78   1.961   3.178  -4.317
  577   1HG1  ILE  78          2HG1      ILE  78   3.788   1.604  -4.830
  578   2HG1  ILE  78          1HG1      ILE  78   3.007   2.146  -6.312
  579   1HG2  ILE  78          2HG2      ILE  78   2.294   5.593  -5.039
  580   2HG2  ILE  78          1HG2      ILE  78   3.520   5.001  -6.161
  581   3HG2  ILE  78          3HG2      ILE  78   1.845   4.476  -6.327
  582   1HD1  ILE  78          3HD1      ILE  78   4.816   3.877  -6.557
  583   2HD1  ILE  78          2HD1      ILE  78   5.632   3.149  -5.173
  584   3HD1  ILE  78          1HD1      ILE  78   5.406   2.217  -6.654
  585    H    ASN  79           H        ASN  79   1.988   3.578  -1.805
  586    HA   ASN  79           HA       ASN  79   0.777   6.134  -1.622
  587   1HB   ASN  79          2HB       ASN  79  -0.212   3.856  -0.973
  588   2HB   ASN  79          1HB       ASN  79   0.683   4.033   0.536
  589   1HD2  ASN  79          2HD2      ASN  79  -2.710   5.508   1.027
  590   2HD2  ASN  79          1HD2      ASN  79  -2.127   3.968   0.618
  591    H    GLY  80           H        GLY  80   3.427   4.598   0.074
  592   1HA   GLY  80          2HA       GLY  80   3.533   6.364   2.301
  593   2HA   GLY  80          1HA       GLY  80   4.850   5.345   1.729
  594    H    ALA  81           H        ALA  81   5.422   6.256  -0.725
  595    HA   ALA  81           HA       ALA  81   6.910   8.605  -0.246
  596   1HB   ALA  81          3HB       ALA  81   6.119   7.285  -2.853
  597   2HB   ALA  81          2HB       ALA  81   7.282   8.605  -2.719
  598   3HB   ALA  81          1HB       ALA  81   7.621   7.050  -1.959
  599    H    LEU  82           H        LEU  82   3.716   8.058  -1.580
  600    HA   LEU  82           HA       LEU  82   3.371  10.697  -2.647
  601   1HB   LEU  82          2HB       LEU  82   2.042   8.445  -3.098
  602   2HB   LEU  82          1HB       LEU  82   1.027   9.058  -1.791
  603    HG   LEU  82           HG       LEU  82   0.957  11.268  -3.071
  604   1HD1  LEU  82          2HD1      LEU  82   2.183   9.447  -5.155
  605   2HD1  LEU  82          1HD1      LEU  82   1.346  10.944  -5.567
  606   3HD1  LEU  82          3HD1      LEU  82   2.805  10.993  -4.575
  607   1HD2  LEU  82          1HD2      LEU  82  -0.715   9.166  -3.106
  608   2HD2  LEU  82          3HD2      LEU  82  -0.995  10.597  -4.099
  609   3HD2  LEU  82          2HD2      LEU  82  -0.251   9.164  -4.808
  610    H    ALA  83           H        ALA  83   2.877   9.196   0.468
  611    HA   ALA  83           HA       ALA  83   1.164  11.163   1.593
  612   1HB   ALA  83          1HB       ALA  83   3.064   9.166   2.828
  613   2HB   ALA  83          3HB       ALA  83   2.056  10.245   3.791
  614   3HB   ALA  83          2HB       ALA  83   1.307   9.064   2.718
  615    H    GLU  84           H        GLU  84   4.641  10.882   1.243
  616    HA   GLU  84           HA       GLU  84   5.344  12.978   3.042
  617   1HB   GLU  84          2HB       GLU  84   6.819  11.755   0.703
  618   2HB   GLU  84          1HB       GLU  84   7.521  12.963   1.780
  619   1HG   GLU  84          2HG       GLU  84   6.816  11.373   3.698
  620   2HG   GLU  84          1HG       GLU  84   6.641  10.153   2.435
  621    H    ALA  85           H        ALA  85   4.659  12.837  -0.423
  622    HA   ALA  85           HA       ALA  85   5.399  15.510  -1.028
  623   1HB   ALA  85          1HB       ALA  85   3.663  13.461  -2.371
  624   2HB   ALA  85          3HB       ALA  85   3.697  15.118  -2.970
  625   3HB   ALA  85          2HB       ALA  85   5.181  14.168  -2.924
  626    H    ALA  86           HN       ALA  86   2.079  14.220  -1.053
  627    HA   ALA  86           HA       ALA  86   1.079  16.220   0.747
  628   1HB   ALA  86          3HB       ALA  86   1.467  17.473  -1.462
  629   2HB   ALA  86          2HB       ALA  86   0.138  16.507  -2.104
  630   3HB   ALA  86          1HB       ALA  86  -0.138  17.595  -0.743
   
  No H/Q in entry =         630
  Start of MODEL   11
    1   1H    MET   1          3H        MET   1  -2.098  20.941  -1.390
    2   2H    MET   1          2H        MET   1  -2.556  21.381  -2.965
    3   3H    MET   1          1H        MET   1  -3.496  21.869  -1.636
    4    HA   MET   1           HA       MET   1  -4.102  19.592  -1.168
    5   1HB   MET   1          2HB       MET   1  -4.510  20.609  -3.985
    6   2HB   MET   1          1HB       MET   1  -5.291  19.139  -3.400
    7   1HG   MET   1          2HG       MET   1  -6.076  20.597  -1.405
    8   2HG   MET   1          1HG       MET   1  -5.651  21.970  -2.427
    9   1HE   MET   1          1HE       MET   1  -7.986  22.735  -2.057
   10   2HE   MET   1          3HE       MET   1  -7.522  23.113  -3.721
   11   3HE   MET   1          2HE       MET   1  -9.139  22.511  -3.370
   12    H    ALA   2           H        ALA   2  -3.475  17.521  -1.201
   13    HA   ALA   2           HA       ALA   2  -1.525  16.687  -3.269
   14   1HB   ALA   2          3HB       ALA   2  -1.591  16.181  -0.311
   15   2HB   ALA   2          2HB       ALA   2  -0.834  15.006  -1.386
   16   3HB   ALA   2          1HB       ALA   2  -0.234  16.663  -1.329
   17    H    THR   3           H        THR   3  -1.604  14.488  -3.928
   18    HA   THR   3           HA       THR   3  -4.271  13.263  -3.551
   19    HB   THR   3           HB       THR   3  -2.432  12.497  -5.791
   20    HG1  THR   3           HG1      THR   3  -3.297  14.204  -6.995
   21   1HG2  THR   3          2HG2      THR   3  -5.426  12.668  -5.380
   22   2HG2  THR   3          1HG2      THR   3  -4.674  12.265  -6.925
   23   3HG2  THR   3          3HG2      THR   3  -4.452  11.206  -5.531
   24    H    LEU   4           H        LEU   4  -4.361  10.920  -3.498
   25    HA   LEU   4           HA       LEU   4  -1.883   9.502  -2.886
   26   1HB   LEU   4          2HB       LEU   4  -2.798   8.636  -0.732
   27   2HB   LEU   4          1HB       LEU   4  -2.456  10.366  -0.694
   28    HG   LEU   4           HG       LEU   4  -5.187   9.567  -1.567
   29   1HD1  LEU   4          3HD1      LEU   4  -4.668   8.070   0.384
   30   2HD1  LEU   4          2HD1      LEU   4  -4.357   9.514   1.349
   31   3HD1  LEU   4          1HD1      LEU   4  -5.971   9.216   0.702
   32   1HD2  LEU   4          3HD2      LEU   4  -4.031  11.715   0.240
   33   2HD2  LEU   4          2HD2      LEU   4  -4.548  11.922  -1.433
   34   3HD2  LEU   4          1HD2      LEU   4  -5.739  11.573  -0.179
   35    H    LEU   5           H        LEU   5  -2.194   7.188  -2.705
   36    HA   LEU   5           HA       LEU   5  -4.380   6.282  -4.435
   37   1HB   LEU   5          2HB       LEU   5  -1.703   5.617  -4.336
   38   2HB   LEU   5          1HB       LEU   5  -2.457   4.264  -3.493
   39    HG   LEU   5           HG       LEU   5  -4.029   3.987  -5.406
   40   1HD1  LEU   5          3HD1      LEU   5  -2.434   6.328  -6.430
   41   2HD1  LEU   5          2HD1      LEU   5  -3.181   5.198  -7.558
   42   3HD1  LEU   5          1HD1      LEU   5  -4.183   6.101  -6.422
   43   1HD2  LEU   5          3HD2      LEU   5  -1.646   2.925  -5.196
   44   2HD2  LEU   5          2HD2      LEU   5  -2.493   2.807  -6.738
   45   3HD2  LEU   5          1HD2      LEU   5  -1.229   4.017  -6.517
   46    H    THR   6           H        THR   6  -5.348   4.105  -3.861
   47    HA   THR   6           HA       THR   6  -5.741   3.856  -0.940
   48    HB   THR   6           HB       THR   6  -8.018   3.332  -2.814
   49    HG1  THR   6           HG1      THR   6  -7.273   5.858  -1.760
   50   1HG2  THR   6          3HG2      THR   6  -7.587   3.992   0.082
   51   2HG2  THR   6          2HG2      THR   6  -9.140   4.359  -0.670
   52   3HG2  THR   6          1HG2      THR   6  -8.547   2.698  -0.635
   53    H    THR   7           H        THR   7  -6.737   1.737  -0.342
   54    HA   THR   7           HA       THR   7  -5.219  -0.408  -1.392
   55    HB   THR   7           HB       THR   7  -7.788  -0.623   0.194
   56    HG1  THR   7           HG1      THR   7  -5.124  -0.484   1.143
   57   1HG2  THR   7          3HG2      THR   7  -6.649  -2.660  -0.954
   58   2HG2  THR   7          2HG2      THR   7  -5.407  -2.462   0.282
   59   3HG2  THR   7          1HG2      THR   7  -7.075  -2.791   0.752
   60    H    ASP   8           H        ASP   8  -8.596   0.569  -1.850
   61    HA   ASP   8           HA       ASP   8  -9.387  -1.568  -3.508
   62   1HB   ASP   8          2HB       ASP   8 -10.830   0.307  -2.438
   63   2HB   ASP   8          1HB       ASP   8 -10.427   1.230  -3.886
   64    H    ASP   9           H        ASP   9  -7.498   1.299  -4.129
   65    HA   ASP   9           HA       ASP   9  -7.745   1.302  -6.971
   66   1HB   ASP   9          2HB       ASP   9  -6.846   3.157  -5.343
   67   2HB   ASP   9          1HB       ASP   9  -5.302   2.337  -5.577
   68    H    LEU  10           H        LEU  10  -5.405  -0.095  -4.690
   69    HA   LEU  10           HA       LEU  10  -3.615  -1.068  -6.653
   70   1HB   LEU  10          2HB       LEU  10  -2.444  -2.026  -4.918
   71   2HB   LEU  10          1HB       LEU  10  -3.403  -0.875  -4.001
   72    HG   LEU  10           HG       LEU  10  -5.118  -2.913  -3.891
   73   1HD1  LEU  10          2HD1      LEU  10  -3.223  -4.132  -5.357
   74   2HD1  LEU  10          1HD1      LEU  10  -2.618  -4.521  -3.748
   75   3HD1  LEU  10          3HD1      LEU  10  -4.244  -5.010  -4.221
   76   1HD2  LEU  10          2HD2      LEU  10  -3.870  -1.752  -2.001
   77   2HD2  LEU  10          1HD2      LEU  10  -4.233  -3.458  -1.729
   78   3HD2  LEU  10          3HD2      LEU  10  -2.607  -2.967  -2.204
   79    H    ARG  11           H        ARG  11  -6.565  -2.329  -5.273
   80    HA   ARG  11           HA       ARG  11  -6.389  -4.992  -6.195
   81   1HB   ARG  11          2HB       ARG  11  -8.141  -3.698  -4.623
   82   2HB   ARG  11          1HB       ARG  11  -9.059  -3.685  -6.129
   83   1HG   ARG  11          2HG       ARG  11  -8.928  -6.089  -6.311
   84   2HG   ARG  11          1HG       ARG  11  -7.808  -6.180  -4.952
   85   1HD   ARG  11          2HD       ARG  11  -9.940  -6.749  -4.054
   86   2HD   ARG  11          1HD       ARG  11  -9.638  -5.090  -3.547
   87    HE   ARG  11           HE       ARG  11 -11.021  -4.842  -5.912
   88   1HH1  ARG  11          2HH1      ARG  11 -11.699  -4.938  -2.676
   89   2HH1  ARG  11          1HH1      ARG  11 -13.333  -5.492  -2.817
   90   1HH2  ARG  11          1HH2      ARG  11 -13.074  -6.225  -6.197
   91   2HH2  ARG  11          2HH2      ARG  11 -14.113  -6.221  -4.810
   92    H    ARG  12           H        ARG  12  -8.128  -2.203  -7.570
   93    HA   ARG  12           HA       ARG  12  -8.938  -3.466  -9.951
   94   1HB   ARG  12          2HB       ARG  12  -8.720  -0.658  -9.002
   95   2HB   ARG  12          1HB       ARG  12  -8.836  -0.907 -10.744
   96   1HG   ARG  12          2HG       ARG  12 -10.716  -2.505  -9.098
   97   2HG   ARG  12          1HG       ARG  12 -11.002  -0.764  -9.107
   98   1HD   ARG  12          2HD       ARG  12 -11.526  -0.720 -11.341
   99   2HD   ARG  12          1HD       ARG  12 -10.434  -2.044 -11.733
  100    HE   ARG  12           HE       ARG  12 -12.137  -3.585 -10.962
  101   1HH1  ARG  12          1HH2      ARG  12 -13.612  -1.604  -9.163
  102   2HH1  ARG  12          2HH2      ARG  12 -15.063  -1.330 -10.068
  103   1HH2  ARG  12          2HH1      ARG  12 -13.791  -2.647 -13.012
  104   2HH2  ARG  12          1HH1      ARG  12 -15.164  -1.921 -12.248
  105    H    ALA  13           H        ALA  13  -5.861  -2.176  -8.999
  106    HA   ALA  13           HA       ALA  13  -4.875  -1.852 -11.703
  107   1HB   ALA  13          2HB       ALA  13  -3.708  -1.573  -8.961
  108   2HB   ALA  13          1HB       ALA  13  -2.626  -1.738 -10.343
  109   3HB   ALA  13          3HB       ALA  13  -3.771  -0.400 -10.275
  110    H    LEU  14           H        LEU  14  -4.906  -4.344  -9.255
  111    HA   LEU  14           HA       LEU  14  -2.853  -5.941 -10.521
  112   1HB   LEU  14          2HB       LEU  14  -4.600  -6.193  -8.128
  113   2HB   LEU  14          1HB       LEU  14  -4.022  -7.692  -8.857
  114    HG   LEU  14           HG       LEU  14  -1.988  -5.554  -8.541
  115   1HD1  LEU  14          3HD1      LEU  14  -3.615  -5.793  -6.402
  116   2HD1  LEU  14          2HD1      LEU  14  -2.520  -7.137  -6.078
  117   3HD1  LEU  14          1HD1      LEU  14  -1.883  -5.502  -6.249
  118   1HD2  LEU  14          1HD2      LEU  14  -1.619  -7.925  -9.382
  119   2HD2  LEU  14          3HD2      LEU  14  -0.571  -7.436  -8.048
  120   3HD2  LEU  14          2HD2      LEU  14  -1.961  -8.477  -7.742
  121    H    VAL  15           H        VAL  15  -6.338  -5.686 -10.623
  122    HA   VAL  15           HA       VAL  15  -6.686  -8.213 -12.010
  123    HB   VAL  15           HB       VAL  15  -8.688  -5.969 -11.666
  124   1HG1  VAL  15          3HG1      VAL  15  -8.956  -8.933 -12.252
  125   2HG1  VAL  15          2HG1      VAL  15 -10.308  -7.845 -11.939
  126   3HG1  VAL  15          1HG1      VAL  15  -9.302  -7.613 -13.369
  127   1HG2  VAL  15          1HG2      VAL  15  -7.664  -8.050  -9.800
  128   2HG2  VAL  15          3HG2      VAL  15  -8.366  -6.471  -9.447
  129   3HG2  VAL  15          2HG2      VAL  15  -9.414  -7.832  -9.841
  130    H    GLU  16           H        GLU  16  -6.627  -4.772 -12.778
  131    HA   GLU  16           HA       GLU  16  -7.453  -4.941 -15.467
  132   1HB   GLU  16          2HB       GLU  16  -5.930  -2.948 -13.847
  133   2HB   GLU  16          1HB       GLU  16  -5.903  -2.793 -15.604
  134   1HG   GLU  16          2HG       GLU  16  -8.475  -3.061 -15.465
  135   2HG   GLU  16          1HG       GLU  16  -8.281  -2.701 -13.751
  136    H    CYS  17           H        CYS  17  -4.362  -5.485 -13.911
  137    HA   CYS  17           HA       CYS  17  -2.746  -5.422 -16.251
  138   1HB   CYS  17          2HB       CYS  17  -2.425  -6.484 -13.475
  139   2HB   CYS  17          1HB       CYS  17  -1.295  -7.019 -14.719
  140    HG   CYS  17           HG       CYS  17  -1.460  -4.056 -14.922
  141    H    ALA  18           H        ALA  18  -4.108  -8.141 -14.388
  142    HA   ALA  18           HA       ALA  18  -4.038  -9.754 -16.867
  143   1HB   ALA  18          1HB       ALA  18  -2.236 -10.384 -15.187
  144   2HB   ALA  18          3HB       ALA  18  -3.540 -10.884 -14.111
  145   3HB   ALA  18          2HB       ALA  18  -3.323 -11.687 -15.666
  146    H    GLY  19           H        GLY  19  -6.227  -9.368 -17.252
  147   1HA   GLY  19          2HA       GLY  19  -8.206 -10.943 -16.882
  148   2HA   GLY  19          1HA       GLY  19  -8.115 -10.385 -15.213
  149    H    GLU  20           H        GLU  20 -10.256 -10.120 -17.266
  150    HA   GLU  20           HA       GLU  20 -10.367  -7.194 -17.593
  151   1HB   GLU  20          2HB       GLU  20 -12.231  -9.285 -18.745
  152   2HB   GLU  20          1HB       GLU  20 -12.151  -7.579 -19.181
  153   1HG   GLU  20          2HG       GLU  20  -9.658  -8.080 -19.748
  154   2HG   GLU  20          1HG       GLU  20 -10.171  -9.768 -19.775
  155    H    THR  21           H        THR  21 -10.587  -7.637 -15.053
  156    HA   THR  21           HA       THR  21 -11.888  -7.689 -13.147
  157    HB   THR  21           HB       THR  21 -12.195  -5.408 -13.667
  158    HG1  THR  21           HG1      THR  21 -14.448  -5.122 -13.102
  159   1HG2  THR  21          2HG2      THR  21 -14.230  -6.328 -15.709
  160   2HG2  THR  21          1HG2      THR  21 -13.946  -4.647 -15.268
  161   3HG2  THR  21          3HG2      THR  21 -12.669  -5.583 -16.043
  162    H    ASP  22           H        ASP  22 -12.674  -9.657 -12.783
  163    HA   ASP  22           HA       ASP  22 -15.175 -10.483 -14.084
  164   1HB   ASP  22          2HB       ASP  22 -13.187 -11.977 -12.365
  165   2HB   ASP  22          1HB       ASP  22 -14.722 -12.665 -12.896
  166    H    GLY  23           H        GLY  23 -14.810  -8.394 -11.837
  167   1HA   GLY  23          2HA       GLY  23 -16.539  -7.757 -10.332
  168   2HA   GLY  23          1HA       GLY  23 -16.991  -9.451 -10.171
  169    H    THR  24           H        THR  24 -14.182 -10.298  -9.813
  170    HA   THR  24           HA       THR  24 -12.683 -10.687  -8.125
  171    HB   THR  24           HB       THR  24 -13.401  -8.137  -6.749
  172    HG1  THR  24           HG1      THR  24 -13.274  -7.231  -8.658
  173   1HG2  THR  24          1HG2      THR  24 -10.874  -9.674  -7.374
  174   2HG2  THR  24          3HG2      THR  24 -10.857  -8.057  -6.667
  175   3HG2  THR  24          2HG2      THR  24 -11.605  -9.396  -5.793
  176    H    ASP  25           H        ASP  25 -12.845 -11.915  -6.377
  177    HA   ASP  25           HA       ASP  25 -15.268 -11.637  -4.698
  178   1HB   ASP  25          2HB       ASP  25 -14.779 -13.774  -6.258
  179   2HB   ASP  25          1HB       ASP  25 -13.891 -14.262  -4.816
  180    H    LEU  26           H        LEU  26 -14.212 -10.309  -3.221
  181    HA   LEU  26           HA       LEU  26 -12.360 -11.745  -1.432
  182   1HB   LEU  26          2HB       LEU  26 -12.010  -8.856  -2.274
  183   2HB   LEU  26          1HB       LEU  26 -10.987  -9.752  -1.150
  184    HG   LEU  26           HG       LEU  26 -11.432 -10.617  -4.016
  185   1HD1  LEU  26          2HD1      LEU  26  -9.639  -8.560  -2.857
  186   2HD1  LEU  26          1HD1      LEU  26  -8.867  -9.709  -3.950
  187   3HD1  LEU  26          3HD1      LEU  26 -10.230  -8.738  -4.508
  188   1HD2  LEU  26          3HD2      LEU  26  -9.860 -11.567  -1.680
  189   2HD2  LEU  26          2HD2      LEU  26 -10.522 -12.479  -3.036
  190   3HD2  LEU  26          1HD2      LEU  26  -9.015 -11.584  -3.230
  191    H    SER  27           H        SER  27 -13.684 -12.017   0.273
  192    HA   SER  27           HA       SER  27 -15.738 -10.288   1.079
  193   1HB   SER  27          2HB       SER  27 -14.189 -12.075   2.946
  194   2HB   SER  27          1HB       SER  27 -15.869 -11.565   3.085
  195    HG   SER  27           HG       SER  27 -14.693 -13.497   1.461
  196    H    GLY  28           H        GLY  28 -12.335 -10.101   1.566
  197   1HA   GLY  28          2HA       GLY  28 -12.171  -7.489   2.338
  198   2HA   GLY  28          1HA       GLY  28 -12.425  -8.351   3.853
  199    H    ASP  29           H        ASP  29 -11.007 -10.746   2.916
  200    HA   ASP  29           HA       ASP  29  -8.281  -9.774   3.405
  201   1HB   ASP  29          2HB       ASP  29  -9.356 -12.604   3.413
  202   2HB   ASP  29          1HB       ASP  29  -7.746 -12.099   3.927
  203    H    PHE  30           H        PHE  30  -7.357  -9.160   1.525
  204    HA   PHE  30           HA       PHE  30  -7.013 -11.240  -0.518
  205   1HB   PHE  30          2HB       PHE  30  -7.453  -9.658  -2.341
  206   2HB   PHE  30          1HB       PHE  30  -8.874  -9.866  -1.323
  207    HD1  PHE  30           HD1      PHE  30  -9.144  -8.151   0.651
  208    HD2  PHE  30           HD2      PHE  30  -6.673  -7.494  -2.801
  209    HE1  PHE  30           HE1      PHE  30  -9.209  -5.707   1.066
  210    HE2  PHE  30           HE2      PHE  30  -6.738  -5.054  -2.385
  211    HZ   PHE  30           HZ       PHE  30  -8.007  -4.159  -0.454
  212    H    LEU  31           H        LEU  31  -5.386  -9.751   1.607
  213    HA   LEU  31           HA       LEU  31  -3.159  -9.041  -0.195
  214   1HB   LEU  31          2HB       LEU  31  -3.952  -7.563   2.328
  215   2HB   LEU  31          1HB       LEU  31  -2.502  -7.250   1.374
  216    HG   LEU  31           HG       LEU  31  -5.137  -7.248  -0.038
  217   1HD1  LEU  31          1HD1      LEU  31  -4.318  -5.353   2.089
  218   2HD1  LEU  31          3HD1      LEU  31  -4.890  -4.619   0.590
  219   3HD1  LEU  31          2HD1      LEU  31  -5.928  -5.734   1.476
  220   1HD2  LEU  31          3HD2      LEU  31  -2.887  -6.979  -1.157
  221   2HD2  LEU  31          2HD2      LEU  31  -4.009  -5.649  -1.451
  222   3HD2  LEU  31          1HD2      LEU  31  -2.703  -5.460  -0.280
  223    H    ASP  32           H        ASP  32  -3.791 -11.520   1.211
  224    HA   ASP  32           HA       ASP  32  -1.841 -11.624   3.392
  225   1HB   ASP  32          2HB       ASP  32  -3.987 -13.427   2.370
  226   2HB   ASP  32          1HB       ASP  32  -2.617 -14.165   3.200
  227    H    LEU  33           H        LEU  33  -2.305 -12.706   0.089
  228    HA   LEU  33           HA       LEU  33   0.484 -13.003  -0.378
  229   1HB   LEU  33          2HB       LEU  33   0.453 -15.467  -0.847
  230   2HB   LEU  33          1HB       LEU  33   0.304 -15.068   0.864
  231    HG   LEU  33           HG       LEU  33  -2.263 -15.238  -0.599
  232   1HD1  LEU  33          2HD1      LEU  33  -0.738 -17.107  -1.532
  233   2HD1  LEU  33          1HD1      LEU  33  -0.852 -17.818   0.079
  234   3HD1  LEU  33          3HD1      LEU  33  -2.309 -17.582  -0.887
  235   1HD2  LEU  33          3HD2      LEU  33  -1.390 -15.236   2.049
  236   2HD2  LEU  33          2HD2      LEU  33  -3.017 -15.638   1.502
  237   3HD2  LEU  33          1HD2      LEU  33  -1.834 -16.918   1.768
  238    H    ARG  34           H        ARG  34  -1.076 -11.477  -1.763
  239    HA   ARG  34           HA       ARG  34  -2.427 -12.777  -3.951
  240   1HB   ARG  34          2HB       ARG  34  -3.061 -10.513  -3.065
  241   2HB   ARG  34          1HB       ARG  34  -1.565  -9.881  -3.755
  242   1HG   ARG  34          2HG       ARG  34  -2.954  -9.489  -5.546
  243   2HG   ARG  34          1HG       ARG  34  -2.504 -11.151  -5.925
  244   1HD   ARG  34          2HD       ARG  34  -4.565 -11.679  -4.314
  245   2HD   ARG  34          1HD       ARG  34  -5.072 -10.079  -4.843
  246    HE   ARG  34           HE       ARG  34  -4.423 -11.373  -7.173
  247   1HH1  ARG  34          2HH1      ARG  34  -5.307 -13.791  -5.431
  248   2HH1  ARG  34          1HH1      ARG  34  -6.963 -13.940  -5.914
  249   1HH2  ARG  34          1HH2      ARG  34  -7.089 -10.806  -7.390
  250   2HH2  ARG  34          2HH2      ARG  34  -7.973 -12.249  -7.022
  251    H    PHE  35           H        PHE  35   0.748 -11.410  -3.369
  252    HA   PHE  35           HA       PHE  35   1.530 -11.558  -6.160
  253   1HB   PHE  35          2HB       PHE  35   2.873 -10.729  -3.618
  254   2HB   PHE  35          1HB       PHE  35   3.861 -11.122  -5.025
  255    HD1  PHE  35           HD2      PHE  35   0.573  -9.378  -4.513
  256    HD2  PHE  35           HD1      PHE  35   4.526  -9.215  -6.192
  257    HE1  PHE  35           HE2      PHE  35   0.074  -7.149  -5.476
  258    HE2  PHE  35           HE1      PHE  35   4.022  -6.987  -7.150
  259    HZ   PHE  35           HZ       PHE  35   1.803  -5.956  -6.795
  260    H    GLU  36           H        GLU  36   1.538 -13.674  -3.425
  261    HA   GLU  36           HA       GLU  36   3.553 -15.418  -4.666
  262   1HB   GLU  36          2HB       GLU  36   2.253 -15.493  -1.937
  263   2HB   GLU  36          1HB       GLU  36   3.401 -16.696  -2.525
  264   1HG   GLU  36          2HG       GLU  36   5.151 -15.067  -2.708
  265   2HG   GLU  36          1HG       GLU  36   4.022 -13.734  -2.454
  266    H    ASP  37           H        ASP  37   0.148 -15.083  -4.375
  267    HA   ASP  37           HA       ASP  37  -0.694 -17.758  -4.318
  268   1HB   ASP  37          2HB       ASP  37  -2.162 -15.704  -4.108
  269   2HB   ASP  37          1HB       ASP  37  -2.065 -15.554  -5.862
  270    H    ILE  38           H        ILE  38  -0.436 -15.640  -7.188
  271    HA   ILE  38           HA       ILE  38  -0.349 -18.034  -8.889
  272    HB   ILE  38           HB       ILE  38  -0.396 -15.167  -9.833
  273   1HG1  ILE  38          2HG1      ILE  38  -2.779 -16.970  -9.287
  274   2HG1  ILE  38          1HG1      ILE  38  -2.302 -15.611  -8.269
  275   1HG2  ILE  38          3HG2      ILE  38  -0.697 -17.877 -11.021
  276   2HG2  ILE  38          2HG2      ILE  38  -1.779 -16.626 -11.636
  277   3HG2  ILE  38          1HG2      ILE  38  -0.031 -16.404 -11.728
  278   1HD1  ILE  38          3HD1      ILE  38  -2.769 -15.220 -11.218
  279   2HD1  ILE  38          2HD1      ILE  38  -4.121 -15.206 -10.084
  280   3HD1  ILE  38          1HD1      ILE  38  -2.822 -14.024  -9.922
  281    H    GLY  39           H        GLY  39   1.955 -17.092  -7.192
  282   1HA   GLY  39          2HA       GLY  39   4.244 -16.889  -7.372
  283   2HA   GLY  39          1HA       GLY  39   4.062 -17.680  -8.936
  284    H    TYR  40           H        TYR  40   2.683 -14.580  -7.967
  285    HA   TYR  40           HA       TYR  40   3.414 -13.234 -10.321
  286   1HB   TYR  40          2HB       TYR  40   2.178 -12.537  -7.769
  287   2HB   TYR  40          1HB       TYR  40   3.209 -11.241  -8.366
  288    HD1  TYR  40           HD2      TYR  40   0.309 -13.410  -9.195
  289    HD2  TYR  40           HD1      TYR  40   2.642  -9.978 -10.320
  290    HE1  TYR  40           HE2      TYR  40  -1.427 -12.770 -10.846
  291    HE2  TYR  40           HE1      TYR  40   0.903  -9.341 -11.971
  292    HH   TYR  40           HH       TYR  40  -2.200 -10.837 -12.046
  293    H    ASP  41           H        ASP  41   5.592 -13.542 -10.781
  294    HA   ASP  41           HA       ASP  41   7.625 -12.745  -8.877
  295   1HB   ASP  41          2HB       ASP  41   9.200 -13.227 -10.748
  296   2HB   ASP  41          1HB       ASP  41   8.138 -14.586 -10.380
  297    H    SER  42           H        SER  42   9.371 -11.221  -9.737
  298    HA   SER  42           HA       SER  42   8.259  -8.651 -10.044
  299   1HB   SER  42          2HB       SER  42  10.577  -9.259  -9.152
  300   2HB   SER  42          1HB       SER  42  11.077  -9.378 -10.837
  301    HG   SER  42           HG       SER  42  11.443  -7.291 -10.201
  302    H    LEU  43           H        LEU  43   9.537 -10.953 -12.387
  303    HA   LEU  43           HA       LEU  43   9.661  -9.243 -14.621
  304   1HB   LEU  43          2HB       LEU  43  10.129 -11.963 -14.123
  305   2HB   LEU  43          1HB       LEU  43   8.862 -11.947 -15.345
  306    HG   LEU  43           HG       LEU  43  11.086 -11.946 -16.400
  307   1HD1  LEU  43          2HD1      LEU  43   9.046 -10.528 -17.243
  308   2HD1  LEU  43          1HD1      LEU  43  10.049  -9.152 -16.782
  309   3HD1  LEU  43          3HD1      LEU  43  10.626 -10.300 -17.990
  310   1HD2  LEU  43          3HD2      LEU  43  12.066 -10.636 -14.358
  311   2HD2  LEU  43          2HD2      LEU  43  12.738 -10.337 -15.961
  312   3HD2  LEU  43          1HD2      LEU  43  11.582  -9.202 -15.263
  313    H    ALA  44           H        ALA  44   6.979 -10.913 -13.114
  314    HA   ALA  44           HA       ALA  44   5.160 -10.530 -15.318
  315   1HB   ALA  44          2HB       ALA  44   4.649 -11.240 -12.419
  316   2HB   ALA  44          1HB       ALA  44   3.428 -11.254 -13.693
  317   3HB   ALA  44          3HB       ALA  44   4.791 -12.371 -13.765
  318    H    LEU  45           H        LEU  45   5.550  -9.047 -12.108
  319    HA   LEU  45           HA       LEU  45   3.654  -6.939 -12.802
  320   1HB   LEU  45          2HB       LEU  45   3.956  -6.221 -10.468
  321   2HB   LEU  45          1HB       LEU  45   3.521  -7.919 -10.599
  322    HG   LEU  45           HG       LEU  45   6.342  -7.867 -10.708
  323   1HD1  LEU  45          2HD1      LEU  45   5.667  -5.491  -9.582
  324   2HD1  LEU  45          1HD1      LEU  45   5.665  -6.523  -8.152
  325   3HD1  LEU  45          3HD1      LEU  45   7.118  -6.393  -9.143
  326   1HD2  LEU  45          1HD2      LEU  45   4.421  -9.338  -9.489
  327   2HD2  LEU  45          3HD2      LEU  45   6.123  -9.425  -9.036
  328   3HD2  LEU  45          2HD2      LEU  45   5.013  -8.422  -8.105
  329    H    MET  46           H        MET  46   6.537  -7.261 -13.893
  330    HA   MET  46           HA       MET  46   8.045  -5.049 -12.948
  331   1HB   MET  46          2HB       MET  46   8.718  -7.102 -14.494
  332   2HB   MET  46          1HB       MET  46   8.315  -5.964 -15.779
  333   1HG   MET  46          2HG       MET  46  10.539  -5.416 -15.460
  334   2HG   MET  46          1HG       MET  46   9.792  -4.314 -14.304
  335   1HE   MET  46          2HE       MET  46  12.619  -5.513 -14.712
  336   2HE   MET  46          1HE       MET  46  13.240  -6.467 -13.367
  337   3HE   MET  46          3HE       MET  46  12.380  -7.258 -14.696
  338    H    GLU  47           H        GLU  47   5.694  -5.457 -15.550
  339    HA   GLU  47           HA       GLU  47   6.045  -2.796 -16.592
  340   1HB   GLU  47          2HB       GLU  47   4.035  -4.986 -17.073
  341   2HB   GLU  47          1HB       GLU  47   3.834  -3.381 -17.780
  342   1HG   GLU  47          2HG       GLU  47   5.014  -4.601 -19.433
  343   2HG   GLU  47          1HG       GLU  47   6.259  -3.650 -18.621
  344    H    THR  48           H        THR  48   4.025  -4.299 -14.171
  345    HA   THR  48           HA       THR  48   2.009  -2.304 -14.036
  346    HB   THR  48           HB       THR  48   2.954  -4.017 -11.733
  347    HG1  THR  48           HG1      THR  48   2.049  -5.672 -12.668
  348   1HG2  THR  48          2HG2      THR  48   0.295  -2.779 -12.496
  349   2HG2  THR  48          1HG2      THR  48   0.531  -3.882 -11.141
  350   3HG2  THR  48          3HG2      THR  48   1.324  -2.306 -11.144
  351    H    ALA  49           H        ALA  49   4.883  -2.861 -11.997
  352    HA   ALA  49           HA       ALA  49   4.565  -0.415 -10.545
  353   1HB   ALA  49          3HB       ALA  49   5.810  -2.512  -9.772
  354   2HB   ALA  49          2HB       ALA  49   7.133  -1.975 -10.807
  355   3HB   ALA  49          1HB       ALA  49   6.600  -0.967  -9.462
  356    H    ALA  50           H        ALA  50   6.253  -1.356 -13.460
  357    HA   ALA  50           HA       ALA  50   8.000   0.885 -13.622
  358   1HB   ALA  50          2HB       ALA  50   6.895  -0.895 -15.808
  359   2HB   ALA  50          1HB       ALA  50   8.201   0.271 -16.019
  360   3HB   ALA  50          3HB       ALA  50   8.420  -1.115 -14.949
  361    H    ARG  51           H        ARG  51   4.668   0.333 -14.545
  362    HA   ARG  51           HA       ARG  51   4.481   2.788 -16.084
  363   1HB   ARG  51          2HB       ARG  51   3.091   0.523 -16.284
  364   2HB   ARG  51          1HB       ARG  51   2.047   1.356 -15.131
  365   1HG   ARG  51          2HG       ARG  51   1.493   3.034 -16.630
  366   2HG   ARG  51          1HG       ARG  51   3.002   2.870 -17.529
  367   1HD   ARG  51          2HD       ARG  51   2.031   0.472 -18.086
  368   2HD   ARG  51          1HD       ARG  51   0.492   1.248 -17.723
  369    HE   ARG  51           HE       ARG  51   1.004   2.851 -19.524
  370   1HH1  ARG  51          1HH2      ARG  51   3.925   2.304 -19.880
  371   2HH1  ARG  51          2HH2      ARG  51   3.953   1.289 -21.283
  372   1HH2  ARG  51          2HH1      ARG  51   0.579   0.506 -21.110
  373   2HH2  ARG  51          1HH1      ARG  51   2.058   0.272 -21.979
  374    H    LEU  52           H        LEU  52   3.758   1.663 -12.848
  375    HA   LEU  52           HA       LEU  52   2.148   3.892 -12.069
  376   1HB   LEU  52          2HB       LEU  52   2.761   1.451 -10.948
  377   2HB   LEU  52          1HB       LEU  52   3.660   2.563  -9.921
  378    HG   LEU  52           HG       LEU  52   1.394   2.214  -9.034
  379   1HD1  LEU  52          1HD1      LEU  52   2.636   4.579  -9.227
  380   2HD1  LEU  52          3HD1      LEU  52   1.199   4.964 -10.174
  381   3HD1  LEU  52          2HD1      LEU  52   1.035   4.424  -8.503
  382   1HD2  LEU  52          1HD2      LEU  52   0.525   1.864 -11.506
  383   2HD2  LEU  52          3HD2      LEU  52  -0.555   2.512 -10.272
  384   3HD2  LEU  52          2HD2      LEU  52   0.219   3.598 -11.424
  385    H    GLU  53           H        GLU  53   5.585   3.268 -12.177
  386    HA   GLU  53           HA       GLU  53   6.481   5.255 -10.393
  387   1HB   GLU  53          2HB       GLU  53   7.753   4.022 -12.839
  388   2HB   GLU  53          1HB       GLU  53   8.589   5.188 -11.813
  389   1HG   GLU  53          2HG       GLU  53   7.267   2.926 -10.411
  390   2HG   GLU  53          1HG       GLU  53   8.682   2.518 -11.380
  391    H    SER  54           H        SER  54   5.425   5.398 -13.730
  392    HA   SER  54           HA       SER  54   6.197   8.225 -13.931
  393   1HB   SER  54          2HB       SER  54   5.264   7.913 -16.305
  394   2HB   SER  54          1HB       SER  54   6.755   7.066 -15.904
  395    HG   SER  54           HG       SER  54   5.536   5.489 -16.723
  396    H    ARG  55           H        ARG  55   3.425   6.240 -13.327
  397    HA   ARG  55           HA       ARG  55   1.349   7.864 -14.269
  398   1HB   ARG  55          2HB       ARG  55   1.094   5.540 -13.361
  399   2HB   ARG  55          1HB       ARG  55   1.296   6.205 -11.739
  400   1HG   ARG  55          2HG       ARG  55  -1.004   6.301 -11.883
  401   2HG   ARG  55          1HG       ARG  55  -0.616   7.868 -12.595
  402   1HD   ARG  55          2HD       ARG  55  -0.457   6.392 -14.816
  403   2HD   ARG  55          1HD       ARG  55  -1.568   5.366 -13.916
  404    HE   ARG  55           HE       ARG  55  -2.812   7.683 -13.641
  405   1HH1  ARG  55          1HH2      ARG  55  -2.539   5.633 -16.211
  406   2HH1  ARG  55          2HH2      ARG  55  -2.909   6.786 -17.449
  407   1HH2  ARG  55          2HH1      ARG  55  -2.696   9.524 -15.333
  408   2HH2  ARG  55          1HH1      ARG  55  -2.997   8.988 -16.952
  409    H    TYR  56           H        TYR  56   2.895   7.815 -11.053
  410    HA   TYR  56           HA       TYR  56   1.682  10.465 -10.535
  411   1HB   TYR  56          2HB       TYR  56   2.634   8.364  -8.574
  412   2HB   TYR  56          1HB       TYR  56   2.018   9.956  -8.131
  413    HD1  TYR  56           HD2      TYR  56  -0.257  10.456  -9.764
  414    HD2  TYR  56           HD1      TYR  56   1.056   6.707  -8.124
  415    HE1  TYR  56           HE2      TYR  56  -2.578   9.591  -9.881
  416    HE2  TYR  56           HE1      TYR  56  -1.264   5.844  -8.241
  417    HH   TYR  56           HH       TYR  56  -3.517   6.868 -10.029
  418    H    GLY  57           H        GLY  57   4.642   8.566 -10.442
  419   1HA   GLY  57          2HA       GLY  57   6.785   9.513 -10.909
  420   2HA   GLY  57          1HA       GLY  57   6.187  11.071 -10.343
  421    H    VAL  58           H        VAL  58   6.036   7.857  -8.845
  422    HA   VAL  58           HA       VAL  58   6.684   8.826  -6.261
  423    HB   VAL  58           HB       VAL  58   5.366   6.789  -6.626
  424   1HG1  VAL  58          2HG1      VAL  58   7.131   6.174  -8.583
  425   2HG1  VAL  58          1HG1      VAL  58   7.761   5.164  -7.282
  426   3HG1  VAL  58          3HG1      VAL  58   6.090   4.977  -7.814
  427   1HG2  VAL  58          2HG2      VAL  58   6.726   7.111  -4.536
  428   2HG2  VAL  58          1HG2      VAL  58   6.401   5.423  -4.926
  429   3HG2  VAL  58          3HG2      VAL  58   7.984   6.117  -5.267
  430    H    SER  59           H        SER  59   8.548   8.169  -4.976
  431    HA   SER  59           HA       SER  59  11.025   8.196  -6.589
  432   1HB   SER  59          2HB       SER  59  10.785   9.008  -3.694
  433   2HB   SER  59          1HB       SER  59  12.099   9.353  -4.813
  434    HG   SER  59           HG       SER  59  11.018  11.127  -5.151
  435    H    ILE  60           H        ILE  60   9.724   5.750  -6.156
  436    HA   ILE  60           HA       ILE  60  11.354   4.452  -4.072
  437    HB   ILE  60           HB       ILE  60   8.666   3.913  -5.239
  438   1HG1  ILE  60          2HG1      ILE  60   8.438   2.976  -2.850
  439   2HG1  ILE  60          1HG1      ILE  60  10.049   3.635  -2.574
  440   1HG2  ILE  60          3HG2      ILE  60   9.907   1.855  -5.934
  441   2HG2  ILE  60          2HG2      ILE  60  10.390   1.614  -4.256
  442   3HG2  ILE  60          1HG2      ILE  60   8.689   1.527  -4.703
  443   1HD1  ILE  60          1HD1      ILE  60   9.015   5.825  -3.604
  444   2HD1  ILE  60          3HD1      ILE  60   7.484   5.084  -3.144
  445   3HD1  ILE  60          2HD1      ILE  60   8.704   5.421  -1.917
  446    HA   PRO  61           HA       PRO  61  13.836   2.810  -7.368
  447   1HB   PRO  61          2HB       PRO  61  15.179   0.879  -5.977
  448   2HB   PRO  61          1HB       PRO  61  15.524   2.610  -5.846
  449   1HG   PRO  61          2HG       PRO  61  14.146   0.817  -3.932
  450   2HG   PRO  61          1HG       PRO  61  15.057   2.303  -3.630
  451   1HD   PRO  61          2HD       PRO  61  12.238   2.053  -3.693
  452   2HD   PRO  61          1HD       PRO  61  13.160   3.574  -3.687
  453    H    ASP  62           H        ASP  62  14.588   0.530  -8.195
  454    HA   ASP  62           HA       ASP  62  12.153  -1.031  -8.634
  455   1HB   ASP  62          2HB       ASP  62  14.678  -0.568 -10.092
  456   2HB   ASP  62          1HB       ASP  62  14.056  -2.213 -10.192
  457    H    ASP  63           H        ASP  63  14.836  -1.174  -6.573
  458    HA   ASP  63           HA       ASP  63  15.183  -4.034  -6.580
  459   1HB   ASP  63          2HB       ASP  63  16.061  -1.970  -4.546
  460   2HB   ASP  63          1HB       ASP  63  16.602  -3.648  -4.615
  461    H    VAL  64           H        VAL  64  13.627  -1.674  -4.416
  462    HA   VAL  64           HA       VAL  64  12.648  -3.707  -2.632
  463    HB   VAL  64           HB       VAL  64  13.146  -1.409  -1.866
  464   1HG1  VAL  64          3HG1      VAL  64  12.291  -0.274  -3.942
  465   2HG1  VAL  64          2HG1      VAL  64  10.652  -0.605  -3.382
  466   3HG1  VAL  64          1HG1      VAL  64  11.710   0.446  -2.441
  467   1HG2  VAL  64          3HG2      VAL  64  10.281  -2.355  -1.587
  468   2HG2  VAL  64          2HG2      VAL  64  11.634  -2.725  -0.516
  469   3HG2  VAL  64          1HG2      VAL  64  10.993  -1.084  -0.591
  470    H    ALA  65           H        ALA  65  11.188  -1.677  -5.159
  471    HA   ALA  65           HA       ALA  65   8.568  -2.822  -4.828
  472   1HB   ALA  65          3HB       ALA  65   8.853  -0.554  -5.740
  473   2HB   ALA  65          2HB       ALA  65   9.711  -1.219  -7.130
  474   3HB   ALA  65          1HB       ALA  65   8.006  -1.595  -6.885
  475    H    GLY  66           H        GLY  66  11.362  -3.444  -6.844
  476   1HA   GLY  66          2HA       GLY  66  10.077  -5.179  -8.712
  477   2HA   GLY  66          1HA       GLY  66  11.810  -5.073  -8.422
  478    H    ARG  67           H        ARG  67  11.673  -5.655  -5.604
  479    HA   ARG  67           HA       ARG  67  11.242  -8.558  -5.793
  480   1HB   ARG  67          2HB       ARG  67  12.822  -6.845  -3.869
  481   2HB   ARG  67          1HB       ARG  67  12.535  -8.565  -3.605
  482   1HG   ARG  67          2HG       ARG  67  13.396  -8.667  -6.155
  483   2HG   ARG  67          1HG       ARG  67  14.258  -7.221  -5.625
  484   1HD   ARG  67          2HD       ARG  67  15.449  -8.376  -3.976
  485   2HD   ARG  67          1HD       ARG  67  14.276  -9.686  -3.907
  486    HE   ARG  67           HE       ARG  67  16.403  -9.362  -5.907
  487   1HH1  ARG  67          2HH1      ARG  67  14.099 -10.445  -7.375
  488   2HH1  ARG  67          1HH1      ARG  67  14.211 -12.153  -7.112
  489   1HH2  ARG  67          1HH2      ARG  67  16.362 -11.865  -4.408
  490   2HH2  ARG  67          2HH2      ARG  67  15.493 -12.957  -5.433
  491    H    VAL  68           H        VAL  68   8.973  -6.818  -5.545
  492    HA   VAL  68           HA       VAL  68   8.100  -6.792  -2.806
  493    HB   VAL  68           HB       VAL  68   7.273  -5.146  -4.464
  494   1HG1  VAL  68          3HG1      VAL  68   7.150  -6.942  -6.322
  495   2HG1  VAL  68          2HG1      VAL  68   5.580  -7.353  -5.633
  496   3HG1  VAL  68          1HG1      VAL  68   5.866  -5.733  -6.270
  497   1HG2  VAL  68          3HG2      VAL  68   5.923  -6.133  -2.407
  498   2HG2  VAL  68          2HG2      VAL  68   5.151  -5.015  -3.532
  499   3HG2  VAL  68          1HG2      VAL  68   4.867  -6.750  -3.677
  500    H    ASP  69           H        ASP  69   7.607  -8.572  -1.732
  501    HA   ASP  69           HA       ASP  69   6.635 -10.936  -3.170
  502   1HB   ASP  69          2HB       ASP  69   7.516 -10.547  -0.300
  503   2HB   ASP  69          1HB       ASP  69   6.943 -12.076  -0.968
  504    H    THR  70           H        THR  70   5.574  -8.481  -0.921
  505    HA   THR  70           HA       THR  70   2.963  -9.841  -0.661
  506    HB   THR  70           HB       THR  70   2.737  -7.879   1.127
  507    HG1  THR  70           HG1      THR  70   5.513  -8.439   1.083
  508   1HG2  THR  70          1HG2      THR  70   4.078 -10.561   1.323
  509   2HG2  THR  70          3HG2      THR  70   3.932  -9.542   2.755
  510   3HG2  THR  70          2HG2      THR  70   2.485 -10.072   1.899
  511    HA   PRO  71           HA       PRO  71   1.233  -6.627  -3.173
  512   1HB   PRO  71          2HB       PRO  71  -1.389  -6.833  -2.450
  513   2HB   PRO  71          1HB       PRO  71  -0.562  -8.015  -3.473
  514   1HG   PRO  71          2HG       PRO  71  -1.384  -8.236  -0.635
  515   2HG   PRO  71          1HG       PRO  71  -1.167  -9.504  -1.847
  516   1HD   PRO  71          2HD       PRO  71   0.655  -8.827   0.214
  517   2HD   PRO  71          1HD       PRO  71   0.982  -9.891  -1.174
  518    H    ARG  72           H        ARG  72   0.015  -6.662   0.173
  519    HA   ARG  72           HA       ARG  72  -0.919  -4.029   0.322
  520   1HB   ARG  72          2HB       ARG  72  -1.069  -6.011   2.035
  521   2HB   ARG  72          1HB       ARG  72   0.407  -5.300   2.688
  522   1HG   ARG  72          2HG       ARG  72  -0.652  -3.300   3.271
  523   2HG   ARG  72          1HG       ARG  72  -1.959  -3.541   2.111
  524   1HD   ARG  72          2HD       ARG  72  -2.755  -5.473   3.486
  525   2HD   ARG  72          1HD       ARG  72  -1.517  -5.091   4.677
  526    HE   ARG  72           HE       ARG  72  -2.762  -3.192   5.310
  527   1HH1  ARG  72          1HH2      ARG  72  -3.696  -1.943   2.880
  528   2HH1  ARG  72          2HH2      ARG  72  -5.378  -2.350   2.795
  529   1HH2  ARG  72          2HH1      ARG  72  -5.134  -4.960   5.064
  530   2HH2  ARG  72          1HH1      ARG  72  -6.191  -4.057   4.031
  531    H    GLU  73           H        GLU  73   2.329  -5.255   0.293
  532    HA   GLU  73           HA       GLU  73   3.578  -3.001   1.541
  533   1HB   GLU  73          2HB       GLU  73   4.602  -5.308   1.277
  534   2HB   GLU  73          1HB       GLU  73   4.854  -4.911  -0.423
  535   1HG   GLU  73          2HG       GLU  73   6.860  -4.138   0.382
  536   2HG   GLU  73          1HG       GLU  73   5.898  -2.692   0.691
  537    H    LEU  74           H        LEU  74   2.896  -3.957  -1.800
  538    HA   LEU  74           HA       LEU  74   4.304  -1.928  -3.131
  539   1HB   LEU  74          2HB       LEU  74   2.804  -4.027  -3.957
  540   2HB   LEU  74          1HB       LEU  74   1.686  -2.703  -4.286
  541    HG   LEU  74           HG       LEU  74   3.802  -1.558  -5.351
  542   1HD1  LEU  74          2HD1      LEU  74   4.506  -4.508  -5.439
  543   2HD1  LEU  74          1HD1      LEU  74   5.312  -3.254  -6.380
  544   3HD1  LEU  74          3HD1      LEU  74   5.420  -3.241  -4.620
  545   1HD2  LEU  74          1HD2      LEU  74   2.262  -3.854  -6.596
  546   2HD2  LEU  74          3HD2      LEU  74   1.851  -2.140  -6.660
  547   3HD2  LEU  74          2HD2      LEU  74   3.269  -2.740  -7.520
  548    H    LEU  75           H        LEU  75   0.915  -2.001  -2.037
  549    HA   LEU  75           HA       LEU  75   0.203   0.583  -2.911
  550   1HB   LEU  75          2HB       LEU  75  -1.451  -1.103  -2.191
  551   2HB   LEU  75          1HB       LEU  75  -0.857  -0.981  -0.538
  552    HG   LEU  75           HG       LEU  75  -1.373   1.633  -1.003
  553   1HD1  LEU  75          1HD1      LEU  75  -2.233   0.771  -3.334
  554   2HD1  LEU  75          3HD1      LEU  75  -3.674   0.338  -2.413
  555   3HD1  LEU  75          2HD1      LEU  75  -3.131   2.016  -2.464
  556   1HD2  LEU  75          3HD2      LEU  75  -2.230   0.211   0.847
  557   2HD2  LEU  75          2HD2      LEU  75  -3.478   1.275   0.197
  558   3HD2  LEU  75          1HD2      LEU  75  -3.458  -0.433  -0.243
  559    H    ASP  76           H        ASP  76   1.414  -0.550   0.228
  560    HA   ASP  76           HA       ASP  76   1.391   1.990   1.480
  561   1HB   ASP  76          2HB       ASP  76   2.891  -0.559   2.063
  562   2HB   ASP  76          1HB       ASP  76   3.084   0.889   3.051
  563    H    LEU  77           H        LEU  77   3.513   0.668  -0.886
  564    HA   LEU  77           HA       LEU  77   5.835   2.214  -0.141
  565   1HB   LEU  77          2HB       LEU  77   5.107   0.539  -2.534
  566   2HB   LEU  77          1HB       LEU  77   6.563   1.535  -2.521
  567    HG   LEU  77           HG       LEU  77   5.983  -0.293  -0.216
  568   1HD1  LEU  77          3HD1      LEU  77   6.880  -1.034  -2.972
  569   2HD1  LEU  77          2HD1      LEU  77   7.647  -1.840  -1.604
  570   3HD1  LEU  77          1HD1      LEU  77   5.902  -1.954  -1.829
  571   1HD2  LEU  77          2HD2      LEU  77   7.817   1.452  -0.198
  572   2HD2  LEU  77          1HD2      LEU  77   8.378  -0.198   0.068
  573   3HD2  LEU  77          3HD2      LEU  77   8.586   0.561  -1.511
  574    H    ILE  78           H        ILE  78   3.892   2.249  -3.119
  575    HA   ILE  78           HA       ILE  78   4.770   4.771  -4.013
  576    HB   ILE  78           HB       ILE  78   2.106   3.446  -4.590
  577   1HG1  ILE  78          2HG1      ILE  78   3.988   1.926  -5.064
  578   2HG1  ILE  78          1HG1      ILE  78   3.262   2.491  -6.563
  579   1HG2  ILE  78          2HG2      ILE  78   3.709   5.589  -6.007
  580   2HG2  ILE  78          1HG2      ILE  78   2.379   4.716  -6.768
  581   3HG2  ILE  78          3HG2      ILE  78   2.077   5.724  -5.352
  582   1HD1  ILE  78          1HD1      ILE  78   5.171   4.415  -6.128
  583   2HD1  ILE  78          3HD1      ILE  78   5.964   2.978  -5.485
  584   3HD1  ILE  78          2HD1      ILE  78   5.398   3.000  -7.155
  585    H    ASN  79           H        ASN  79   2.037   3.828  -2.041
  586    HA   ASN  79           HA       ASN  79   0.792   6.378  -1.876
  587   1HB   ASN  79          2HB       ASN  79  -0.218   4.074  -1.348
  588   2HB   ASN  79          1HB       ASN  79   0.583   4.219   0.216
  589   1HD2  ASN  79          2HD2      ASN  79  -2.897   5.711   0.340
  590   2HD2  ASN  79          1HD2      ASN  79  -2.324   4.211  -0.209
  591    H    GLY  80           H        GLY  80   3.349   4.794  -0.083
  592   1HA   GLY  80          2HA       GLY  80   3.328   6.484   2.204
  593   2HA   GLY  80          1HA       GLY  80   4.679   5.489   1.669
  594    H    ALA  81           H        ALA  81   5.034   6.621  -0.896
  595    HA   ALA  81           HA       ALA  81   6.663   8.865  -0.234
  596   1HB   ALA  81          1HB       ALA  81   5.967   7.384  -2.718
  597   2HB   ALA  81          3HB       ALA  81   6.594   9.022  -2.904
  598   3HB   ALA  81          2HB       ALA  81   7.549   7.802  -2.062
  599    H    LEU  82           H        LEU  82   3.643   8.535  -2.092
  600    HA   LEU  82           HA       LEU  82   3.311  11.256  -2.720
  601   1HB   LEU  82          2HB       LEU  82   1.474   8.905  -2.539
  602   2HB   LEU  82          1HB       LEU  82   0.775  10.518  -2.683
  603    HG   LEU  82           HG       LEU  82   2.997   9.668  -4.525
  604   1HD1  LEU  82          2HD1      LEU  82   0.984   8.006  -4.448
  605   2HD1  LEU  82          1HD1      LEU  82   0.095   9.306  -5.243
  606   3HD1  LEU  82          3HD1      LEU  82   1.521   8.612  -6.016
  607   1HD2  LEU  82          1HD2      LEU  82   1.788  12.050  -4.172
  608   2HD2  LEU  82          3HD2      LEU  82   2.362  11.512  -5.750
  609   3HD2  LEU  82          2HD2      LEU  82   0.660  11.337  -5.326
  610    H    ALA  83           H        ALA  83   2.628   9.449   0.194
  611    HA   ALA  83           HA       ALA  83   0.868  11.301   1.423
  612   1HB   ALA  83          1HB       ALA  83   2.607   9.069   2.401
  613   2HB   ALA  83          3HB       ALA  83   1.905  10.185   3.573
  614   3HB   ALA  83          2HB       ALA  83   0.856   9.253   2.506
  615    H    GLU  84           H        GLU  84   4.387  10.927   1.462
  616    HA   GLU  84           HA       GLU  84   4.621  13.426   3.013
  617   1HB   GLU  84          2HB       GLU  84   6.454  11.091   2.555
  618   2HB   GLU  84          1HB       GLU  84   7.118  12.657   3.025
  619   1HG   GLU  84          2HG       GLU  84   6.718  11.447   5.059
  620   2HG   GLU  84          1HG       GLU  84   5.447  12.664   4.940
  621    H    ALA  85           H        ALA  85   3.836  13.511   0.270
  622    HA   ALA  85           HA       ALA  85   6.253  14.502  -1.096
  623   1HB   ALA  85          3HB       ALA  85   4.444  12.846  -2.118
  624   2HB   ALA  85          2HB       ALA  85   3.603  14.357  -2.464
  625   3HB   ALA  85          1HB       ALA  85   5.220  14.078  -3.112
  626    H    ALA  86           HN       ALA  86   5.037  15.978   1.061
  627    HA   ALA  86           HA       ALA  86   3.470  18.121  -0.073
  628   1HB   ALA  86          2HB       ALA  86   4.782  17.702   2.613
  629   2HB   ALA  86          1HB       ALA  86   3.963  19.205   2.191
  630   3HB   ALA  86          3HB       ALA  86   3.061  17.690   2.226
   
  No H/Q in entry =         630
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1 -12.962   9.160   7.212
    2   2H    MET   1          3H        MET   1 -12.369   9.418   8.781
    3   3H    MET   1          2H        MET   1 -11.883  10.438   7.511
    4    HA   MET   1           HA       MET   1 -10.063   9.060   7.737
    5   1HB   MET   1          2HB       MET   1 -11.659   7.501   9.224
    6   2HB   MET   1          1HB       MET   1 -11.658   6.537   7.747
    7   1HG   MET   1          2HG       MET   1  -9.052   7.579   8.808
    8   2HG   MET   1          1HG       MET   1  -9.782   6.164   9.567
    9   1HE   MET   1          1HE       MET   1  -8.114   4.671   9.214
   10   2HE   MET   1          3HE       MET   1  -9.456   3.709   8.581
   11   3HE   MET   1          2HE       MET   1  -7.899   3.702   7.758
   12    H    ALA   2           H        ALA   2  -9.615   9.625   5.640
   13    HA   ALA   2           HA       ALA   2 -10.347   7.650   3.598
   14   1HB   ALA   2          3HB       ALA   2 -10.756  10.632   3.265
   15   2HB   ALA   2          2HB       ALA   2 -10.877   9.443   1.968
   16   3HB   ALA   2          1HB       ALA   2 -12.020   9.402   3.309
   17    H    THR   3           H        THR   3  -8.691   7.174   2.289
   18    HA   THR   3           HA       THR   3  -6.328   8.960   2.345
   19    HB   THR   3           HB       THR   3  -5.998   6.057   1.761
   20    HG1  THR   3           HG1      THR   3  -6.475   5.461   3.711
   21   1HG2  THR   3          1HG2      THR   3  -4.430   8.360   2.801
   22   2HG2  THR   3          3HG2      THR   3  -4.014   6.768   3.433
   23   3HG2  THR   3          2HG2      THR   3  -3.943   7.072   1.698
   24    H    LEU   4           H        LEU   4  -4.906   8.706   0.425
   25    HA   LEU   4           HA       LEU   4  -6.513   8.834  -1.984
   26   1HB   LEU   4          2HB       LEU   4  -3.810   9.659  -1.163
   27   2HB   LEU   4          1HB       LEU   4  -3.892   9.048  -2.813
   28    HG   LEU   4           HG       LEU   4  -4.277  11.484  -2.749
   29   1HD1  LEU   4          2HD1      LEU   4  -5.598   9.747  -4.261
   30   2HD1  LEU   4          1HD1      LEU   4  -6.980  10.342  -3.341
   31   3HD1  LEU   4          3HD1      LEU   4  -6.004  11.463  -4.290
   32   1HD2  LEU   4          2HD2      LEU   4  -5.253  11.598  -0.476
   33   2HD2  LEU   4          1HD2      LEU   4  -6.302  12.377  -1.660
   34   3HD2  LEU   4          3HD2      LEU   4  -6.696  10.767  -1.058
   35    H    LEU   5           H        LEU   5  -3.525   7.070  -1.135
   36    HA   LEU   5           HA       LEU   5  -4.121   5.079  -3.192
   37   1HB   LEU   5          2HB       LEU   5  -1.736   5.955  -1.706
   38   2HB   LEU   5          1HB       LEU   5  -1.836   4.210  -1.932
   39    HG   LEU   5           HG       LEU   5  -0.636   5.356  -3.799
   40   1HD1  LEU   5          1HD1      LEU   5  -2.163   3.243  -3.996
   41   2HD1  LEU   5          3HD1      LEU   5  -3.238   4.318  -4.890
   42   3HD1  LEU   5          2HD1      LEU   5  -1.596   4.031  -5.469
   43   1HD2  LEU   5          3HD2      LEU   5  -2.459   7.337  -3.558
   44   2HD2  LEU   5          2HD2      LEU   5  -1.570   7.045  -5.053
   45   3HD2  LEU   5          1HD2      LEU   5  -3.208   6.420  -4.864
   46    H    THR   6           H        THR   6  -6.026   4.299  -2.097
   47    HA   THR   6           HA       THR   6  -5.587   2.811   0.388
   48    HB   THR   6           HB       THR   6  -8.093   2.299   0.060
   49    HG1  THR   6           HG1      THR   6  -8.703   2.895  -1.860
   50   1HG2  THR   6          1HG2      THR   6  -6.808   4.237   1.401
   51   2HG2  THR   6          3HG2      THR   6  -7.707   5.243   0.266
   52   3HG2  THR   6          2HG2      THR   6  -8.568   4.142   1.342
   53    H    THR   7           H        THR   7  -6.745   0.619   0.454
   54    HA   THR   7           HA       THR   7  -5.383  -1.213  -1.165
   55    HB   THR   7           HB       THR   7  -8.016  -1.681   0.255
   56    HG1  THR   7           HG1      THR   7  -6.539  -2.396   1.935
   57   1HG2  THR   7          3HG2      THR   7  -5.756  -3.531  -0.553
   58   2HG2  THR   7          2HG2      THR   7  -7.161  -4.004   0.403
   59   3HG2  THR   7          1HG2      THR   7  -7.368  -3.484  -1.269
   60    H    ASP   8           H        ASP   8  -8.651   0.121  -1.448
   61    HA   ASP   8           HA       ASP   8  -9.543  -1.460  -3.602
   62   1HB   ASP   8          2HB       ASP   8 -10.883   0.202  -2.148
   63   2HB   ASP   8          1HB       ASP   8 -10.309   1.434  -3.274
   64    H    ASP   9           H        ASP   9  -7.536   1.407  -3.460
   65    HA   ASP   9           HA       ASP   9  -7.594   2.092  -6.207
   66   1HB   ASP   9          2HB       ASP   9  -6.639   3.402  -4.139
   67   2HB   ASP   9          1HB       ASP   9  -5.149   2.545  -4.536
   68    H    LEU  10           H        LEU  10  -5.119   0.301  -4.328
   69    HA   LEU  10           HA       LEU  10  -3.518  -0.378  -6.530
   70   1HB   LEU  10          2HB       LEU  10  -2.303  -1.739  -5.091
   71   2HB   LEU  10          1HB       LEU  10  -3.066  -0.632  -3.958
   72    HG   LEU  10           HG       LEU  10  -4.965  -2.544  -4.011
   73   1HD1  LEU  10          2HD1      LEU  10  -3.201  -3.729  -5.637
   74   2HD1  LEU  10          1HD1      LEU  10  -2.548  -4.283  -4.096
   75   3HD1  LEU  10          3HD1      LEU  10  -4.217  -4.654  -4.531
   76   1HD2  LEU  10          3HD2      LEU  10  -3.612  -1.642  -2.055
   77   2HD2  LEU  10          2HD2      LEU  10  -4.059  -3.345  -1.934
   78   3HD2  LEU  10          1HD2      LEU  10  -2.421  -2.894  -2.409
   79    H    ARG  11           H        ARG  11  -6.497  -1.751  -5.383
   80    HA   ARG  11           HA       ARG  11  -6.360  -4.267  -6.673
   81   1HB   ARG  11          2HB       ARG  11  -8.119  -3.127  -4.950
   82   2HB   ARG  11          1HB       ARG  11  -9.018  -2.975  -6.458
   83   1HG   ARG  11          2HG       ARG  11  -8.205  -5.508  -6.752
   84   2HG   ARG  11          1HG       ARG  11  -8.179  -5.435  -4.990
   85   1HD   ARG  11          2HD       ARG  11 -10.531  -4.825  -6.798
   86   2HD   ARG  11          1HD       ARG  11 -10.374  -6.188  -5.695
   87    HE   ARG  11           HE       ARG  11 -10.107  -3.941  -4.108
   88   1HH1  ARG  11          1HH2      ARG  11 -12.044  -2.789  -6.179
   89   2HH1  ARG  11          2HH2      ARG  11 -13.574  -3.140  -5.447
   90   1HH2  ARG  11          2HH1      ARG  11 -12.274  -5.445  -3.206
   91   2HH2  ARG  11          1HH1      ARG  11 -13.705  -4.643  -3.765
   92    H    ARG  12           H        ARG  12  -7.875  -1.195  -7.643
   93    HA   ARG  12           HA       ARG  12  -8.823  -2.033 -10.152
   94   1HB   ARG  12          2HB       ARG  12  -7.984   0.686  -9.138
   95   2HB   ARG  12          1HB       ARG  12  -8.678   0.437 -10.740
   96   1HG   ARG  12          2HG       ARG  12 -10.605  -0.766  -9.556
   97   2HG   ARG  12          1HG       ARG  12  -9.963  -0.095  -8.056
   98   1HD   ARG  12          2HD       ARG  12  -9.991   2.160  -9.460
   99   2HD   ARG  12          1HD       ARG  12 -11.231   1.309 -10.374
  100    HE   ARG  12           HE       ARG  12 -11.431   1.666  -7.438
  101   1HH1  ARG  12          1HH2      ARG  12 -12.454   3.149 -10.243
  102   2HH1  ARG  12          2HH2      ARG  12 -14.152   3.016  -9.932
  103   1HH2  ARG  12          2HH1      ARG  12 -13.757   0.916  -7.202
  104   2HH2  ARG  12          1HH1      ARG  12 -14.890   1.752  -8.210
  105    H    ALA  13           H        ALA  13  -5.664  -0.872  -9.131
  106    HA   ALA  13           HA       ALA  13  -4.589  -0.559 -11.765
  107   1HB   ALA  13          2HB       ALA  13  -3.683   0.457  -9.595
  108   2HB   ALA  13          1HB       ALA  13  -2.976  -1.129  -9.280
  109   3HB   ALA  13          3HB       ALA  13  -2.493  -0.218 -10.710
  110    H    LEU  14           H        LEU  14  -4.905  -3.226  -9.526
  111    HA   LEU  14           HA       LEU  14  -3.102  -4.944 -11.020
  112   1HB   LEU  14          2HB       LEU  14  -4.684  -5.171  -8.507
  113   2HB   LEU  14          1HB       LEU  14  -4.282  -6.663  -9.358
  114    HG   LEU  14           HG       LEU  14  -2.115  -4.640  -8.969
  115   1HD1  LEU  14          3HD1      LEU  14  -3.587  -5.317  -6.774
  116   2HD1  LEU  14          2HD1      LEU  14  -2.412  -6.632  -6.795
  117   3HD1  LEU  14          1HD1      LEU  14  -1.861  -4.958  -6.723
  118   1HD2  LEU  14          1HD2      LEU  14  -2.105  -6.991 -10.193
  119   2HD2  LEU  14          3HD2      LEU  14  -0.720  -6.485  -9.223
  120   3HD2  LEU  14          2HD2      LEU  14  -1.907  -7.603  -8.551
  121    H    VAL  15           H        VAL  15  -6.418  -4.077 -11.185
  122    HA   VAL  15           HA       VAL  15  -7.381  -6.568 -12.275
  123    HB   VAL  15           HB       VAL  15  -8.637  -3.813 -12.396
  124   1HG1  VAL  15          1HG1      VAL  15  -9.371  -6.031 -13.793
  125   2HG1  VAL  15          3HG1      VAL  15 -10.275  -6.283 -12.300
  126   3HG1  VAL  15          2HG1      VAL  15 -10.513  -4.808 -13.237
  127   1HG2  VAL  15          1HG2      VAL  15  -8.110  -5.468 -10.135
  128   2HG2  VAL  15          3HG2      VAL  15  -9.102  -4.013 -10.199
  129   3HG2  VAL  15          2HG2      VAL  15  -9.837  -5.592 -10.466
  130    H    GLU  16           H        GLU  16  -6.201  -3.495 -13.517
  131    HA   GLU  16           HA       GLU  16  -6.963  -3.789 -16.209
  132   1HB   GLU  16          2HB       GLU  16  -4.792  -2.254 -14.817
  133   2HB   GLU  16          1HB       GLU  16  -4.839  -2.313 -16.579
  134   1HG   GLU  16          2HG       GLU  16  -7.268  -1.577 -14.937
  135   2HG   GLU  16          1HG       GLU  16  -6.097  -0.371 -15.471
  136    H    CYS  17           H        CYS  17  -3.972  -4.737 -14.536
  137    HA   CYS  17           HA       CYS  17  -2.971  -6.034 -16.954
  138   1HB   CYS  17          2HB       CYS  17  -1.810  -5.537 -14.222
  139   2HB   CYS  17          1HB       CYS  17  -1.030  -6.617 -15.376
  140    HG   CYS  17           HG       CYS  17  -1.648  -3.979 -16.708
  141    H    ALA  18           H        ALA  18  -4.807  -6.906 -14.189
  142    HA   ALA  18           HA       ALA  18  -3.952  -9.537 -13.726
  143   1HB   ALA  18          3HB       ALA  18  -6.513  -8.059 -13.295
  144   2HB   ALA  18          2HB       ALA  18  -6.512  -9.815 -13.129
  145   3HB   ALA  18          1HB       ALA  18  -5.452  -8.832 -12.119
  146    H    GLY  19           H        GLY  19  -6.982  -8.724 -15.408
  147   1HA   GLY  19          2HA       GLY  19  -6.922  -9.628 -17.854
  148   2HA   GLY  19          1HA       GLY  19  -6.673 -11.164 -17.027
  149    H    GLU  20           H        GLU  20  -8.366 -12.136 -15.928
  150    HA   GLU  20           HA       GLU  20 -11.000 -11.433 -16.821
  151   1HB   GLU  20          2HB       GLU  20  -9.991 -13.504 -14.860
  152   2HB   GLU  20          1HB       GLU  20 -11.700 -13.300 -15.249
  153   1HG   GLU  20          2HG       GLU  20 -11.443 -14.071 -17.415
  154   2HG   GLU  20          1HG       GLU  20  -9.761 -13.545 -17.513
  155    H    THR  21           H        THR  21 -10.144 -12.110 -13.443
  156    HA   THR  21           HA       THR  21 -11.055 -11.254 -11.497
  157    HB   THR  21           HB       THR  21  -9.087  -9.958 -11.582
  158    HG1  THR  21           HG1      THR  21  -9.852  -7.916 -10.793
  159   1HG2  THR  21          2HG2      THR  21 -10.517  -8.209 -13.596
  160   2HG2  THR  21          1HG2      THR  21  -8.926  -7.876 -12.913
  161   3HG2  THR  21          3HG2      THR  21  -9.167  -9.295 -13.927
  162    H    ASP  22           H        ASP  22 -13.175 -11.337 -11.296
  163    HA   ASP  22           HA       ASP  22 -14.874  -9.368 -12.656
  164   1HB   ASP  22          2HB       ASP  22 -15.445 -11.851 -12.580
  165   2HB   ASP  22          1HB       ASP  22 -15.796 -11.616 -10.867
  166    H    GLY  23           H        GLY  23 -13.060  -8.669 -10.378
  167   1HA   GLY  23          2HA       GLY  23 -13.252  -7.048  -8.720
  168   2HA   GLY  23          1HA       GLY  23 -15.004  -7.154  -8.859
  169    H    THR  24           H        THR  24 -12.155  -8.810  -7.576
  170    HA   THR  24           HA       THR  24 -11.836 -10.081  -5.694
  171    HB   THR  24           HB       THR  24 -14.530  -9.410  -4.615
  172    HG1  THR  24           HG1      THR  24 -12.394  -7.558  -4.786
  173   1HG2  THR  24          3HG2      THR  24 -11.702  -9.608  -3.571
  174   2HG2  THR  24          2HG2      THR  24 -13.023  -8.960  -2.598
  175   3HG2  THR  24          1HG2      THR  24 -13.083 -10.628  -3.165
  176    H    ASP  25           H        ASP  25 -12.026 -12.196  -5.397
  177    HA   ASP  25           HA       ASP  25 -14.584 -13.547  -5.801
  178   1HB   ASP  25          2HB       ASP  25 -13.209 -13.377  -8.029
  179   2HB   ASP  25          1HB       ASP  25 -12.227 -14.646  -7.295
  180    H    LEU  26           H        LEU  26 -12.964 -13.090  -3.501
  181    HA   LEU  26           HA       LEU  26 -12.301 -15.888  -2.835
  182   1HB   LEU  26          2HB       LEU  26 -10.680 -14.107  -1.228
  183   2HB   LEU  26          1HB       LEU  26 -10.178 -15.444  -2.247
  184    HG   LEU  26           HG       LEU  26 -10.525 -13.720  -4.209
  185   1HD1  LEU  26          2HD1      LEU  26 -11.532 -12.010  -2.645
  186   2HD1  LEU  26          1HD1      LEU  26  -9.951 -11.863  -1.880
  187   3HD1  LEU  26          3HD1      LEU  26 -10.156 -11.412  -3.572
  188   1HD2  LEU  26          2HD2      LEU  26  -8.366 -14.748  -3.078
  189   2HD2  LEU  26          1HD2      LEU  26  -8.220 -13.391  -4.194
  190   3HD2  LEU  26          3HD2      LEU  26  -8.169 -13.110  -2.454
  191    H    SER  27           H        SER  27 -12.200 -12.865  -0.973
  192    HA   SER  27           HA       SER  27 -14.595 -13.609   0.502
  193   1HB   SER  27          2HB       SER  27 -13.102 -13.102   2.653
  194   2HB   SER  27          1HB       SER  27 -13.287 -14.732   2.013
  195    HG   SER  27           HG       SER  27 -11.324 -14.594   1.077
  196    H    GLY  28           H        GLY  28 -11.816 -11.548   1.101
  197   1HA   GLY  28          2HA       GLY  28 -12.780  -9.108   0.216
  198   2HA   GLY  28          1HA       GLY  28 -13.384  -9.286   1.862
  199    H    ASP  29           H        ASP  29 -10.313 -10.398   0.485
  200    HA   ASP  29           HA       ASP  29  -8.864  -8.419   2.111
  201   1HB   ASP  29          2HB       ASP  29  -9.161 -10.858   3.155
  202   2HB   ASP  29          1HB       ASP  29  -7.798 -11.202   2.090
  203    H    PHE  30           H        PHE  30  -8.430 -11.176  -0.107
  204    HA   PHE  30           HA       PHE  30  -6.874 -11.566  -1.772
  205   1HB   PHE  30          2HB       PHE  30  -6.920  -9.822  -3.559
  206   2HB   PHE  30          1HB       PHE  30  -8.511 -10.348  -3.020
  207    HD1  PHE  30           HD1      PHE  30  -6.035  -7.595  -2.892
  208    HD2  PHE  30           HD2      PHE  30  -9.991  -8.877  -1.811
  209    HE1  PHE  30           HE1      PHE  30  -6.633  -5.261  -2.321
  210    HE2  PHE  30           HE2      PHE  30 -10.589  -6.543  -1.238
  211    HZ   PHE  30           HZ       PHE  30  -8.910  -4.733  -1.490
  212    H    LEU  31           H        LEU  31  -5.703 -10.469   0.638
  213    HA   LEU  31           HA       LEU  31  -3.268  -9.349  -0.586
  214   1HB   LEU  31          2HB       LEU  31  -4.689  -8.285   1.858
  215   2HB   LEU  31          1HB       LEU  31  -3.022  -7.876   1.443
  216    HG   LEU  31           HG       LEU  31  -5.255  -7.552  -0.558
  217   1HD1  LEU  31          3HD1      LEU  31  -4.681  -5.929   1.839
  218   2HD1  LEU  31          2HD1      LEU  31  -4.754  -5.007   0.337
  219   3HD1  LEU  31          1HD1      LEU  31  -6.132  -5.988   0.836
  220   1HD2  LEU  31          2HD2      LEU  31  -2.384  -6.826  -0.307
  221   2HD2  LEU  31          1HD2      LEU  31  -3.322  -7.232  -1.744
  222   3HD2  LEU  31          3HD2      LEU  31  -3.428  -5.614  -1.051
  223    H    ASP  32           H        ASP  32  -4.055 -12.040   0.375
  224    HA   ASP  32           HA       ASP  32  -2.307 -12.396   2.712
  225   1HB   ASP  32          2HB       ASP  32  -4.198 -14.265   1.267
  226   2HB   ASP  32          1HB       ASP  32  -3.114 -14.792   2.554
  227    H    LEU  33           H        LEU  33  -2.674 -13.230  -0.670
  228    HA   LEU  33           HA       LEU  33   0.178 -13.955  -0.790
  229   1HB   LEU  33          2HB       LEU  33  -2.154 -15.637  -1.563
  230   2HB   LEU  33          1HB       LEU  33  -0.777 -15.626  -2.665
  231    HG   LEU  33           HG       LEU  33  -0.497 -16.099   0.311
  232   1HD1  LEU  33          2HD1      LEU  33  -1.917 -17.848  -0.794
  233   2HD1  LEU  33          1HD1      LEU  33  -0.584 -18.169  -1.904
  234   3HD1  LEU  33          3HD1      LEU  33  -0.389 -18.478  -0.178
  235   1HD2  LEU  33          3HD2      LEU  33   1.400 -15.382  -1.465
  236   2HD2  LEU  33          2HD2      LEU  33   1.728 -16.483  -0.127
  237   3HD2  LEU  33          1HD2      LEU  33   1.407 -17.124  -1.738
  238    H    ARG  34           H        ARG  34  -2.606 -13.836  -2.988
  239    HA   ARG  34           HA       ARG  34  -2.927 -12.845  -5.021
  240   1HB   ARG  34          2HB       ARG  34  -3.212 -10.932  -3.481
  241   2HB   ARG  34          1HB       ARG  34  -1.515 -10.529  -3.681
  242   1HG   ARG  34          2HG       ARG  34  -2.237  -9.225  -5.398
  243   2HG   ARG  34          1HG       ARG  34  -2.335 -10.739  -6.296
  244   1HD   ARG  34          2HD       ARG  34  -4.712 -10.817  -5.006
  245   2HD   ARG  34          1HD       ARG  34  -4.507  -9.075  -5.145
  246    HE   ARG  34           HE       ARG  34  -4.012  -9.825  -7.660
  247   1HH1  ARG  34          2HH1      ARG  34  -5.567 -12.373  -6.578
  248   2HH1  ARG  34          1HH1      ARG  34  -7.121 -12.073  -7.279
  249   1HH2  ARG  34          1HH2      ARG  34  -6.417  -8.773  -8.080
  250   2HH2  ARG  34          2HH2      ARG  34  -7.603 -10.036  -8.129
  251    H    PHE  35           H        PHE  35   0.100 -11.053  -4.493
  252    HA   PHE  35           HA       PHE  35   1.091 -11.260  -7.027
  253   1HB   PHE  35          2HB       PHE  35   2.394 -10.911  -4.371
  254   2HB   PHE  35          1HB       PHE  35   3.420 -11.204  -5.774
  255    HD1  PHE  35           HD2      PHE  35   0.209  -9.303  -5.348
  256    HD2  PHE  35           HD1      PHE  35   4.345  -9.175  -6.490
  257    HE1  PHE  35           HE2      PHE  35  -0.048  -6.930  -6.007
  258    HE2  PHE  35           HE1      PHE  35   4.082  -6.804  -7.153
  259    HZ   PHE  35           HZ       PHE  35   1.895  -5.683  -6.904
  260    H    GLU  36           H        GLU  36   1.767 -13.497  -4.345
  261    HA   GLU  36           HA       GLU  36   3.014 -15.355  -6.260
  262   1HB   GLU  36          2HB       GLU  36   3.188 -14.978  -3.299
  263   2HB   GLU  36          1HB       GLU  36   3.472 -16.587  -3.963
  264   1HG   GLU  36          2HG       GLU  36   4.976 -15.154  -5.676
  265   2HG   GLU  36          1HG       GLU  36   5.085 -14.103  -4.263
  266    H    ASP  37           H        ASP  37   0.609 -15.513  -6.986
  267    HA   ASP  37           HA       ASP  37  -0.401 -18.009  -5.890
  268   1HB   ASP  37          2HB       ASP  37  -1.448 -16.121  -4.532
  269   2HB   ASP  37          1HB       ASP  37  -2.300 -15.669  -6.008
  270    H    ILE  38           H        ILE  38  -1.759 -15.361  -7.886
  271    HA   ILE  38           HA       ILE  38  -2.820 -17.218  -9.789
  272    HB   ILE  38           HB       ILE  38  -3.586 -15.291 -11.020
  273   1HG1  ILE  38          2HG1      ILE  38  -1.847 -13.589  -9.198
  274   2HG1  ILE  38          1HG1      ILE  38  -1.435 -13.988 -10.865
  275   1HG2  ILE  38          1HG2      ILE  38  -4.323 -15.858  -8.479
  276   2HG2  ILE  38          3HG2      ILE  38  -3.804 -14.184  -8.273
  277   3HG2  ILE  38          2HG2      ILE  38  -5.072 -14.579  -9.435
  278   1HD1  ILE  38          2HD1      ILE  38  -4.119 -13.025 -10.871
  279   2HD1  ILE  38          1HD1      ILE  38  -3.156 -11.901  -9.912
  280   3HD1  ILE  38          3HD1      ILE  38  -2.692 -12.265 -11.574
  281    H    GLY  39           H        GLY  39   0.050 -15.207  -9.629
  282   1HA   GLY  39          2HA       GLY  39   1.942 -16.429 -10.903
  283   2HA   GLY  39          1HA       GLY  39   0.895 -16.155 -12.292
  284    H    TYR  40           H        TYR  40   1.630 -14.051  -9.526
  285    HA   TYR  40           HA       TYR  40   2.434 -11.943 -11.423
  286   1HB   TYR  40          2HB       TYR  40   1.071 -11.960  -8.801
  287   2HB   TYR  40          1HB       TYR  40   2.293 -10.705  -8.981
  288    HD1  TYR  40           HD2      TYR  40   2.222  -9.324 -11.197
  289    HD2  TYR  40           HD1      TYR  40  -1.081 -11.626  -9.687
  290    HE1  TYR  40           HE2      TYR  40   0.660  -7.984 -12.576
  291    HE2  TYR  40           HE1      TYR  40  -2.642 -10.273 -11.067
  292    HH   TYR  40           HH       TYR  40  -2.018  -7.419 -12.289
  293    H    ASP  41           H        ASP  41   4.434 -13.496 -11.472
  294    HA   ASP  41           HA       ASP  41   6.242 -13.581  -9.329
  295   1HB   ASP  41          2HB       ASP  41   7.962 -14.108 -11.003
  296   2HB   ASP  41          1HB       ASP  41   6.487 -15.021 -11.306
  297    H    SER  42           H        SER  42   8.509 -12.553  -9.594
  298    HA   SER  42           HA       SER  42   8.140  -9.711  -9.323
  299   1HB   SER  42          2HB       SER  42  10.493 -11.558  -9.047
  300   2HB   SER  42          1HB       SER  42  10.711  -9.811  -9.035
  301    HG   SER  42           HG       SER  42   9.825 -11.427  -7.086
  302    H    LEU  43           H        LEU  43   9.194 -11.830 -11.870
  303    HA   LEU  43           HA       LEU  43  10.586  -9.748 -13.334
  304   1HB   LEU  43          2HB       LEU  43  10.029 -12.644 -13.743
  305   2HB   LEU  43          1HB       LEU  43  10.336 -11.661 -15.176
  306    HG   LEU  43           HG       LEU  43  12.166 -11.321 -12.839
  307   1HD1  LEU  43          3HD1      LEU  43  12.197 -13.689 -14.734
  308   2HD1  LEU  43          2HD1      LEU  43  13.552 -13.227 -13.704
  309   3HD1  LEU  43          1HD1      LEU  43  12.029 -13.743 -12.979
  310   1HD2  LEU  43          3HD2      LEU  43  12.383  -9.951 -14.889
  311   2HD2  LEU  43          2HD2      LEU  43  13.793 -10.987 -14.667
  312   3HD2  LEU  43          1HD2      LEU  43  12.557 -11.420 -15.849
  313    H    ALA  44           H        ALA  44   7.340 -10.976 -13.141
  314    HA   ALA  44           HA       ALA  44   6.587  -9.832 -15.720
  315   1HB   ALA  44          2HB       ALA  44   4.975 -11.276 -13.609
  316   2HB   ALA  44          1HB       ALA  44   4.309 -10.669 -15.125
  317   3HB   ALA  44          3HB       ALA  44   5.539 -11.932 -15.146
  318    H    LEU  45           H        LEU  45   5.663  -9.415 -12.301
  319    HA   LEU  45           HA       LEU  45   4.037  -7.149 -12.773
  320   1HB   LEU  45          2HB       LEU  45   3.866  -6.926 -10.416
  321   2HB   LEU  45          1HB       LEU  45   3.981  -8.651 -10.729
  322    HG   LEU  45           HG       LEU  45   6.593  -8.150 -10.409
  323   1HD1  LEU  45          2HD1      LEU  45   5.550  -5.663  -9.865
  324   2HD1  LEU  45          1HD1      LEU  45   5.672  -6.364  -8.250
  325   3HD1  LEU  45          3HD1      LEU  45   7.105  -6.247  -9.271
  326   1HD2  LEU  45          2HD2      LEU  45   4.457  -9.188  -8.793
  327   2HD2  LEU  45          1HD2      LEU  45   6.173  -9.586  -8.714
  328   3HD2  LEU  45          3HD2      LEU  45   5.533  -8.262  -7.746
  329    H    MET  46           H        MET  46   7.432  -7.454 -12.803
  330    HA   MET  46           HA       MET  46   8.276  -5.001 -11.737
  331   1HB   MET  46          2HB       MET  46   9.592  -7.090 -12.778
  332   2HB   MET  46          1HB       MET  46   9.652  -6.014 -14.171
  333   1HG   MET  46          2HG       MET  46  10.382  -5.027 -11.416
  334   2HG   MET  46          1HG       MET  46  11.568  -5.844 -12.433
  335   1HE   MET  46          2HE       MET  46  12.399  -5.232 -14.501
  336   2HE   MET  46          1HE       MET  46  12.654  -3.565 -15.011
  337   3HE   MET  46          3HE       MET  46  13.291  -4.128 -13.459
  338    H    GLU  47           H        GLU  47   7.618  -5.836 -15.147
  339    HA   GLU  47           HA       GLU  47   7.932  -3.249 -16.196
  340   1HB   GLU  47          2HB       GLU  47   7.534  -5.627 -17.344
  341   2HB   GLU  47          1HB       GLU  47   5.876  -5.030 -17.411
  342   1HG   GLU  47          2HG       GLU  47   6.726  -4.180 -19.403
  343   2HG   GLU  47          1HG       GLU  47   7.029  -2.830 -18.309
  344    H    THR  48           H        THR  48   5.219  -4.794 -14.611
  345    HA   THR  48           HA       THR  48   3.170  -3.010 -15.364
  346    HB   THR  48           HB       THR  48   3.435  -4.452 -12.714
  347    HG1  THR  48           HG1      THR  48   3.621  -5.953 -14.322
  348   1HG2  THR  48          1HG2      THR  48   1.070  -3.397 -14.288
  349   2HG2  THR  48          3HG2      THR  48   0.936  -4.417 -12.856
  350   3HG2  THR  48          2HG2      THR  48   1.647  -2.808 -12.729
  351    H    ALA  49           H        ALA  49   5.459  -2.964 -12.664
  352    HA   ALA  49           HA       ALA  49   4.436  -0.593 -11.453
  353   1HB   ALA  49          3HB       ALA  49   7.085  -2.027 -11.234
  354   2HB   ALA  49          2HB       ALA  49   6.721  -0.557 -10.330
  355   3HB   ALA  49          1HB       ALA  49   5.759  -2.012 -10.071
  356    H    ALA  50           H        ALA  50   6.731  -1.242 -14.013
  357    HA   ALA  50           HA       ALA  50   8.056   1.247 -14.077
  358   1HB   ALA  50          2HB       ALA  50   8.671  -0.872 -15.359
  359   2HB   ALA  50          1HB       ALA  50   7.419  -0.416 -16.514
  360   3HB   ALA  50          3HB       ALA  50   8.804   0.644 -16.251
  361    H    ARG  51           H        ARG  51   5.085   0.107 -15.634
  362    HA   ARG  51           HA       ARG  51   4.621   2.560 -17.061
  363   1HB   ARG  51          2HB       ARG  51   2.678   0.339 -16.378
  364   2HB   ARG  51          1HB       ARG  51   2.428   1.608 -17.577
  365   1HG   ARG  51          2HG       ARG  51   4.864  -0.146 -17.744
  366   2HG   ARG  51          1HG       ARG  51   3.319  -0.730 -18.361
  367   1HD   ARG  51          2HD       ARG  51   3.131   1.205 -19.831
  368   2HD   ARG  51          1HD       ARG  51   4.605   1.894 -19.160
  369    HE   ARG  51           HE       ARG  51   5.794   0.524 -20.595
  370   1HH1  ARG  51          2HH1      ARG  51   5.563  -2.135 -20.024
  371   2HH1  ARG  51          1HH1      ARG  51   4.464  -2.834 -21.166
  372   1HH2  ARG  51          1HH2      ARG  51   3.089   0.207 -22.105
  373   2HH2  ARG  51          2HH2      ARG  51   3.063  -1.509 -22.343
  374    H    LEU  52           H        LEU  52   3.695   1.231 -13.953
  375    HA   LEU  52           HA       LEU  52   1.643   3.098 -13.337
  376   1HB   LEU  52          2HB       LEU  52   2.424   0.829 -12.163
  377   2HB   LEU  52          1HB       LEU  52   3.307   1.966 -11.143
  378    HG   LEU  52           HG       LEU  52   1.018   3.253 -11.074
  379   1HD1  LEU  52          1HD1      LEU  52  -0.044   1.773 -12.777
  380   2HD1  LEU  52          3HD1      LEU  52   0.120   0.415 -11.663
  381   3HD1  LEU  52          2HD1      LEU  52  -0.923   1.776 -11.248
  382   1HD2  LEU  52          2HD2      LEU  52   2.252   1.983  -9.211
  383   2HD2  LEU  52          1HD2      LEU  52   0.506   2.153  -9.019
  384   3HD2  LEU  52          3HD2      LEU  52   1.187   0.626  -9.581
  385    H    GLU  53           H        GLU  53   5.120   3.241 -13.196
  386    HA   GLU  53           HA       GLU  53   5.447   5.304 -11.311
  387   1HB   GLU  53          2HB       GLU  53   7.087   4.211 -13.551
  388   2HB   GLU  53          1HB       GLU  53   7.558   5.756 -12.843
  389   1HG   GLU  53          2HG       GLU  53   8.087   4.824 -10.807
  390   2HG   GLU  53          1HG       GLU  53   6.878   3.547 -10.959
  391    H    SER  54           H        SER  54   4.139   5.405 -14.499
  392    HA   SER  54           HA       SER  54   4.743   8.244 -14.849
  393   1HB   SER  54          2HB       SER  54   3.189   6.316 -16.588
  394   2HB   SER  54          1HB       SER  54   3.551   7.989 -17.003
  395    HG   SER  54           HG       SER  54   5.690   7.499 -17.095
  396    H    ARG  55           H        ARG  55   2.080   6.151 -13.953
  397    HA   ARG  55           HA       ARG  55   0.017   8.123 -14.237
  398   1HB   ARG  55          2HB       ARG  55  -0.135   5.790 -12.336
  399   2HB   ARG  55          1HB       ARG  55  -1.441   6.578 -13.216
  400   1HG   ARG  55          2HG       ARG  55   0.086   5.768 -15.298
  401   2HG   ARG  55          1HG       ARG  55   0.481   4.509 -14.126
  402   1HD   ARG  55          2HD       ARG  55  -1.432   3.730 -15.344
  403   2HD   ARG  55          1HD       ARG  55  -2.007   4.219 -13.754
  404    HE   ARG  55           HE       ARG  55  -2.745   6.341 -14.861
  405   1HH1  ARG  55          2HH1      ARG  55  -1.428   5.690 -17.540
  406   2HH1  ARG  55          1HH1      ARG  55  -2.789   5.169 -18.476
  407   1HH2  ARG  55          1HH2      ARG  55  -4.843   4.708 -15.719
  408   2HH2  ARG  55          2HH2      ARG  55  -4.722   4.612 -17.445
  409    H    TYR  56           H        TYR  56   2.105   7.060 -11.610
  410    HA   TYR  56           HA       TYR  56   0.855   8.991  -9.782
  411   1HB   TYR  56          2HB       TYR  56   2.917   6.829  -9.294
  412   2HB   TYR  56          1HB       TYR  56   2.274   7.903  -8.052
  413    HD1  TYR  56           HD1      TYR  56   1.060   5.602 -10.772
  414    HD2  TYR  56           HD2      TYR  56   0.414   7.197  -6.830
  415    HE1  TYR  56           HE1      TYR  56  -0.902   4.114 -10.488
  416    HE2  TYR  56           HE2      TYR  56  -1.547   5.707  -6.553
  417    HH   TYR  56           HH       TYR  56  -2.382   3.576  -7.479
  418    H    GLY  57           H        GLY  57   3.818   8.338 -11.526
  419   1HA   GLY  57          2HA       GLY  57   5.703   9.611 -11.899
  420   2HA   GLY  57          1HA       GLY  57   4.707  11.003 -11.494
  421    H    VAL  58           H        VAL  58   5.176   8.398  -9.217
  422    HA   VAL  58           HA       VAL  58   6.669  10.243  -7.487
  423    HB   VAL  58           HB       VAL  58   4.548   9.368  -6.600
  424   1HG1  VAL  58          2HG1      VAL  58   5.343   6.978  -7.841
  425   2HG1  VAL  58          1HG1      VAL  58   5.432   6.639  -6.115
  426   3HG1  VAL  58          3HG1      VAL  58   3.923   7.214  -6.823
  427   1HG2  VAL  58          3HG2      VAL  58   6.675   9.758  -5.191
  428   2HG2  VAL  58          2HG2      VAL  58   5.366   8.827  -4.462
  429   3HG2  VAL  58          1HG2      VAL  58   6.779   8.000  -5.119
  430    H    SER  59           H        SER  59   8.374   9.335  -6.150
  431    HA   SER  59           HA       SER  59  10.151   7.666  -7.709
  432   1HB   SER  59          2HB       SER  59  10.846   9.656  -6.251
  433   2HB   SER  59          1HB       SER  59  10.614   8.583  -4.873
  434    HG   SER  59           HG       SER  59  12.163   7.214  -5.716
  435    H    ILE  60           H        ILE  60  10.707   5.579  -7.354
  436    HA   ILE  60           HA       ILE  60   9.598   4.216  -4.986
  437    HB   ILE  60           HB       ILE  60   9.431   3.105  -7.799
  438   1HG1  ILE  60          2HG1      ILE  60   7.152   4.091  -6.063
  439   2HG1  ILE  60          1HG1      ILE  60   7.918   5.100  -7.292
  440   1HG2  ILE  60          1HG2      ILE  60   8.272   2.170  -5.155
  441   2HG2  ILE  60          3HG2      ILE  60   8.006   1.402  -6.720
  442   3HG2  ILE  60          2HG2      ILE  60   9.620   1.418  -6.009
  443   1HD1  ILE  60          2HD1      ILE  60   6.643   2.397  -7.805
  444   2HD1  ILE  60          1HD1      ILE  60   5.905   3.955  -8.177
  445   3HD1  ILE  60          3HD1      ILE  60   7.366   3.447  -9.022
  446    HA   PRO  61           HA       PRO  61  13.730   2.528  -5.122
  447   1HB   PRO  61          2HB       PRO  61  13.490   0.731  -3.079
  448   2HB   PRO  61          1HB       PRO  61  13.658   2.476  -2.837
  449   1HG   PRO  61          2HG       PRO  61  11.274   0.759  -2.510
  450   2HG   PRO  61          1HG       PRO  61  11.656   2.313  -1.756
  451   1HD   PRO  61          2HD       PRO  61   9.891   1.872  -3.946
  452   2HD   PRO  61          1HD       PRO  61  10.442   3.443  -3.321
  453    H    ASP  62           H        ASP  62  14.428   1.158  -6.651
  454    HA   ASP  62           HA       ASP  62  12.913  -0.951  -7.746
  455   1HB   ASP  62          2HB       ASP  62  15.740  -0.037  -7.977
  456   2HB   ASP  62          1HB       ASP  62  15.340  -1.651  -8.565
  457    H    ASP  63           H        ASP  63  14.826  -0.848  -4.882
  458    HA   ASP  63           HA       ASP  63  15.691  -3.535  -4.784
  459   1HB   ASP  63          2HB       ASP  63  15.147  -1.492  -2.631
  460   2HB   ASP  63          1HB       ASP  63  15.724  -3.118  -2.263
  461    H    VAL  64           H        VAL  64  13.243  -2.254  -2.548
  462    HA   VAL  64           HA       VAL  64  12.026  -4.803  -2.210
  463    HB   VAL  64           HB       VAL  64  11.975  -3.048  -0.475
  464   1HG1  VAL  64          1HG1      VAL  64  11.563  -1.199  -2.224
  465   2HG1  VAL  64          3HG1      VAL  64   9.861  -1.648  -2.105
  466   3HG1  VAL  64          2HG1      VAL  64  10.719  -1.059  -0.681
  467   1HG2  VAL  64          1HG2      VAL  64   9.261  -3.936  -1.499
  468   2HG2  VAL  64          3HG2      VAL  64  10.297  -4.816  -0.375
  469   3HG2  VAL  64          2HG2      VAL  64   9.558  -3.292   0.115
  470    H    ALA  65           H        ALA  65  11.107  -1.912  -4.041
  471    HA   ALA  65           HA       ALA  65   8.606  -2.833  -4.959
  472   1HB   ALA  65          2HB       ALA  65   9.806  -0.471  -5.151
  473   2HB   ALA  65          1HB       ALA  65  10.274  -1.104  -6.729
  474   3HB   ALA  65          3HB       ALA  65   8.568  -0.966  -6.305
  475    H    GLY  66           H        GLY  66  11.877  -3.433  -6.061
  476   1HA   GLY  66          2HA       GLY  66  11.109  -4.556  -8.598
  477   2HA   GLY  66          1HA       GLY  66  12.702  -4.650  -7.856
  478    H    ARG  67           H        ARG  67  11.660  -5.776  -5.353
  479    HA   ARG  67           HA       ARG  67  11.012  -8.498  -6.326
  480   1HB   ARG  67          2HB       ARG  67  13.331  -8.169  -5.344
  481   2HB   ARG  67          1HB       ARG  67  12.538  -7.863  -3.798
  482   1HG   ARG  67          2HG       ARG  67  11.879 -10.047  -3.544
  483   2HG   ARG  67          1HG       ARG  67  11.672 -10.295  -5.279
  484   1HD   ARG  67          2HD       ARG  67  13.574 -11.577  -4.817
  485   2HD   ARG  67          1HD       ARG  67  14.267 -10.059  -5.376
  486    HE   ARG  67           HE       ARG  67  14.515 -11.170  -2.745
  487   1HH1  ARG  67          2HH1      ARG  67  15.938  -8.920  -4.605
  488   2HH1  ARG  67          1HH1      ARG  67  16.044  -7.658  -3.423
  489   1HH2  ARG  67          1HH2      ARG  67  13.926  -9.229  -1.171
  490   2HH2  ARG  67          2HH2      ARG  67  14.905  -7.834  -1.478
  491    H    VAL  68           H        VAL  68   9.070  -6.491  -5.632
  492    HA   VAL  68           HA       VAL  68   8.116  -6.871  -2.978
  493    HB   VAL  68           HB       VAL  68   7.458  -4.923  -4.335
  494   1HG1  VAL  68          2HG1      VAL  68   7.257  -6.440  -6.457
  495   2HG1  VAL  68          1HG1      VAL  68   5.600  -6.682  -5.906
  496   3HG1  VAL  68          3HG1      VAL  68   6.174  -5.058  -6.283
  497   1HG2  VAL  68          2HG2      VAL  68   5.902  -6.261  -2.567
  498   2HG2  VAL  68          1HG2      VAL  68   5.402  -4.756  -3.339
  499   3HG2  VAL  68          3HG2      VAL  68   4.851  -6.303  -3.982
  500    H    ASP  69           H        ASP  69   7.777  -8.907  -2.321
  501    HA   ASP  69           HA       ASP  69   6.473 -10.851  -4.057
  502   1HB   ASP  69          2HB       ASP  69   6.779 -12.390  -2.113
  503   2HB   ASP  69          1HB       ASP  69   8.287 -11.662  -2.669
  504    H    THR  70           H        THR  70   5.734  -8.848  -1.279
  505    HA   THR  70           HA       THR  70   3.115 -10.109  -0.938
  506    HB   THR  70           HB       THR  70   2.993  -8.131   0.824
  507    HG1  THR  70           HG1      THR  70   5.177  -7.799   1.589
  508   1HG2  THR  70          3HG2      THR  70   4.554 -10.706   0.982
  509   2HG2  THR  70          2HG2      THR  70   4.331  -9.676   2.397
  510   3HG2  THR  70          1HG2      THR  70   2.930 -10.369   1.582
  511    HA   PRO  71           HA       PRO  71   1.099  -6.972  -3.349
  512   1HB   PRO  71          2HB       PRO  71  -1.455  -7.301  -2.445
  513   2HB   PRO  71          1HB       PRO  71  -0.646  -8.452  -3.519
  514   1HG   PRO  71          2HG       PRO  71  -1.277  -8.698  -0.637
  515   2HG   PRO  71          1HG       PRO  71  -1.051  -9.963  -1.852
  516   1HD   PRO  71          2HD       PRO  71   0.840  -9.128   0.100
  517   2HD   PRO  71          1HD       PRO  71   1.137 -10.229  -1.265
  518    H    ARG  72           H        ARG  72  -0.035  -7.067   0.033
  519    HA   ARG  72           HA       ARG  72  -0.970  -4.428   0.207
  520   1HB   ARG  72          2HB       ARG  72  -1.380  -6.275   1.877
  521   2HB   ARG  72          1HB       ARG  72   0.255  -6.002   2.478
  522   1HG   ARG  72          2HG       ARG  72  -0.827  -4.543   3.876
  523   2HG   ARG  72          1HG       ARG  72  -0.646  -3.458   2.500
  524   1HD   ARG  72          2HD       ARG  72  -2.891  -3.232   2.574
  525   2HD   ARG  72          1HD       ARG  72  -2.961  -4.849   1.884
  526    HE   ARG  72           HE       ARG  72  -2.940  -5.572   4.370
  527   1HH1  ARG  72          2HH1      ARG  72  -3.344  -3.741   6.216
  528   2HH1  ARG  72          1HH1      ARG  72  -4.958  -3.121   6.102
  529   1HH2  ARG  72          1HH2      ARG  72  -5.465  -4.296   2.880
  530   2HH2  ARG  72          2HH2      ARG  72  -6.159  -3.436   4.214
  531    H    GLU  73           H        GLU  73   2.267  -5.720   0.337
  532    HA   GLU  73           HA       GLU  73   3.543  -3.565   1.659
  533   1HB   GLU  73          2HB       GLU  73   4.545  -5.843   1.172
  534   2HB   GLU  73          1HB       GLU  73   4.782  -5.293  -0.487
  535   1HG   GLU  73          2HG       GLU  73   6.816  -4.676   0.430
  536   2HG   GLU  73          1HG       GLU  73   5.890  -3.205   0.728
  537    H    LEU  74           H        LEU  74   2.746  -4.183  -1.721
  538    HA   LEU  74           HA       LEU  74   4.169  -2.066  -2.900
  539   1HB   LEU  74          2HB       LEU  74   2.603  -4.069  -3.862
  540   2HB   LEU  74          1HB       LEU  74   1.522  -2.692  -4.070
  541    HG   LEU  74           HG       LEU  74   3.577  -1.504  -5.117
  542   1HD1  LEU  74          1HD1      LEU  74   4.420  -4.415  -5.189
  543   2HD1  LEU  74          3HD1      LEU  74   5.124  -3.172  -6.223
  544   3HD1  LEU  74          2HD1      LEU  74   5.302  -3.066  -4.472
  545   1HD2  LEU  74          2HD2      LEU  74   1.825  -3.628  -6.267
  546   2HD2  LEU  74          1HD2      LEU  74   1.948  -1.921  -6.695
  547   3HD2  LEU  74          3HD2      LEU  74   3.162  -3.064  -7.270
  548    H    LEU  75           H        LEU  75   0.829  -2.202  -1.676
  549    HA   LEU  75           HA       LEU  75   0.055   0.413  -2.337
  550   1HB   LEU  75          2HB       LEU  75  -1.512  -1.338  -1.557
  551   2HB   LEU  75          1HB       LEU  75  -0.814  -1.234   0.056
  552    HG   LEU  75           HG       LEU  75  -1.402   1.329  -0.167
  553   1HD1  LEU  75          2HD1      LEU  75  -2.189   0.651  -2.641
  554   2HD1  LEU  75          1HD1      LEU  75  -3.696   0.332  -1.784
  555   3HD1  LEU  75          3HD1      LEU  75  -2.974   1.938  -1.730
  556   1HD2  LEU  75          2HD2      LEU  75  -3.354  -0.927   0.335
  557   2HD2  LEU  75          1HD2      LEU  75  -2.429  -0.011   1.525
  558   3HD2  LEU  75          3HD2      LEU  75  -3.754   0.760   0.655
  559    H    ASP  76           H        ASP  76   1.270  -0.787   0.804
  560    HA   ASP  76           HA       ASP  76   1.396   1.705   2.080
  561   1HB   ASP  76          2HB       ASP  76   2.831  -0.898   2.517
  562   2HB   ASP  76          1HB       ASP  76   3.219   0.522   3.490
  563    H    LEU  77           H        LEU  77   3.468   0.362  -0.346
  564    HA   LEU  77           HA       LEU  77   5.811   1.880   0.318
  565   1HB   LEU  77          2HB       LEU  77   5.476  -0.280  -1.204
  566   2HB   LEU  77          1HB       LEU  77   5.330   0.935  -2.470
  567    HG   LEU  77           HG       LEU  77   7.656   0.213  -2.258
  568   1HD1  LEU  77          1HD1      LEU  77   6.938   2.698  -2.631
  569   2HD1  LEU  77          3HD1      LEU  77   7.596   2.949  -1.015
  570   3HD1  LEU  77          2HD1      LEU  77   8.633   2.337  -2.303
  571   1HD2  LEU  77          1HD2      LEU  77   7.046   0.332   0.558
  572   2HD2  LEU  77          3HD2      LEU  77   8.470  -0.341  -0.232
  573   3HD2  LEU  77          2HD2      LEU  77   8.437   1.361   0.225
  574    H    ILE  78           H        ILE  78   3.730   2.083  -2.568
  575    HA   ILE  78           HA       ILE  78   4.636   4.558  -3.481
  576    HB   ILE  78           HB       ILE  78   1.851   3.406  -3.791
  577   1HG1  ILE  78          2HG1      ILE  78   3.589   1.816  -4.513
  578   2HG1  ILE  78          1HG1      ILE  78   2.736   2.468  -5.908
  579   1HG2  ILE  78          1HG2      ILE  78   3.358   5.627  -5.148
  580   2HG2  ILE  78          3HG2      ILE  78   2.135   4.717  -6.036
  581   3HG2  ILE  78          2HG2      ILE  78   1.690   5.603  -4.578
  582   1HD1  ILE  78          2HD1      ILE  78   4.804   4.277  -5.567
  583   2HD1  ILE  78          1HD1      ILE  78   5.561   2.738  -5.155
  584   3HD1  ILE  78          3HD1      ILE  78   4.791   2.950  -6.728
  585    H    ASN  79           H        ASN  79   2.092   3.818  -1.176
  586    HA   ASN  79           HA       ASN  79   0.912   6.345  -0.949
  587   1HB   ASN  79          2HB       ASN  79   0.476   3.908   0.202
  588   2HB   ASN  79          1HB       ASN  79   1.135   4.809   1.564
  589   1HD2  ASN  79          2HD2      ASN  79  -2.630   5.325   1.121
  590   2HD2  ASN  79          1HD2      ASN  79  -1.694   3.910   1.062
  591    H    GLY  80           H        GLY  80   3.644   4.931   0.831
  592   1HA   GLY  80          2HA       GLY  80   4.038   7.149   2.566
  593   2HA   GLY  80          1HA       GLY  80   5.212   5.881   2.233
  594    H    ALA  81           H        ALA  81   5.137   6.400  -0.672
  595    HA   ALA  81           HA       ALA  81   7.269   8.264  -0.812
  596   1HB   ALA  81          2HB       ALA  81   6.830   6.379  -2.435
  597   2HB   ALA  81          1HB       ALA  81   5.540   7.366  -3.120
  598   3HB   ALA  81          3HB       ALA  81   7.210   7.930  -3.180
  599    H    LEU  82           H        LEU  82   4.031   8.504  -2.302
  600    HA   LEU  82           HA       LEU  82   4.243  11.245  -2.930
  601   1HB   LEU  82          2HB       LEU  82   1.779  11.159  -3.225
  602   2HB   LEU  82          1HB       LEU  82   2.609   9.839  -4.047
  603    HG   LEU  82           HG       LEU  82   2.175   8.695  -1.617
  604   1HD1  LEU  82          1HD1      LEU  82   0.813  10.951  -1.211
  605   2HD1  LEU  82          3HD1      LEU  82  -0.441  10.065  -2.078
  606   3HD1  LEU  82          2HD1      LEU  82   0.233   9.407  -0.588
  607   1HD2  LEU  82          2HD2      LEU  82   1.581   7.912  -3.981
  608   2HD2  LEU  82          1HD2      LEU  82   0.466   7.418  -2.707
  609   3HD2  LEU  82          3HD2      LEU  82   0.049   8.760  -3.774
  610    H    ALA  83           H        ALA  83   3.401   9.609   0.022
  611    HA   ALA  83           HA       ALA  83   1.894  11.604   1.304
  612   1HB   ALA  83          1HB       ALA  83   3.700   9.422   2.320
  613   2HB   ALA  83          3HB       ALA  83   2.942  10.563   3.430
  614   3HB   ALA  83          2HB       ALA  83   1.941   9.532   2.408
  615    H    GLU  84           H        GLU  84   5.346  11.229   0.830
  616    HA   GLU  84           HA       GLU  84   6.185  13.214   2.692
  617   1HB   GLU  84          2HB       GLU  84   7.526  11.351   1.318
  618   2HB   GLU  84          1HB       GLU  84   7.795  12.720   0.238
  619   1HG   GLU  84          2HG       GLU  84   8.308  12.820   3.222
  620   2HG   GLU  84          1HG       GLU  84   9.555  12.456   2.028
  621    H    ALA  85           H        ALA  85   5.196  13.275  -0.678
  622    HA   ALA  85           HA       ALA  85   5.735  16.170  -0.813
  623   1HB   ALA  85          2HB       ALA  85   6.423  14.427  -2.649
  624   2HB   ALA  85          1HB       ALA  85   4.733  14.557  -3.134
  625   3HB   ALA  85          3HB       ALA  85   5.762  15.990  -3.130
  626    H    ALA  86           HN       ALA  86   3.563  15.094   0.778
  627    HA   ALA  86           HA       ALA  86   1.151  15.738  -0.755
  628   1HB   ALA  86          2HB       ALA  86   1.482  14.810   2.109
  629   2HB   ALA  86          1HB       ALA  86  -0.058  15.041   1.282
  630   3HB   ALA  86          3HB       ALA  86   1.059  13.791   0.733
   
  No H/Q in entry =         630
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  -6.791  12.301  -8.604
    2   2H    MET   1          3H        MET   1  -8.348  12.881  -8.944
    3   3H    MET   1          2H        MET   1  -7.148  12.917 -10.147
    4    HA   MET   1           HA       MET   1  -5.937  14.598  -9.058
    5   1HB   MET   1          2HB       MET   1  -8.881  14.944  -9.355
    6   2HB   MET   1          1HB       MET   1  -8.009  16.223  -8.509
    7   1HG   MET   1          2HG       MET   1  -6.392  16.290 -10.444
    8   2HG   MET   1          1HG       MET   1  -7.463  15.180 -11.299
    9   1HE   MET   1          1HE       MET   1  -7.300  16.785 -13.088
   10   2HE   MET   1          3HE       MET   1  -9.010  16.337 -13.163
   11   3HE   MET   1          2HE       MET   1  -8.526  18.018 -13.365
   12    H    ALA   2           H        ALA   2  -8.868  14.014  -7.098
   13    HA   ALA   2           HA       ALA   2  -7.271  14.616  -4.682
   14   1HB   ALA   2          3HB       ALA   2  -9.212  16.104  -5.053
   15   2HB   ALA   2          2HB       ALA   2 -10.277  14.698  -5.045
   16   3HB   ALA   2          1HB       ALA   2  -9.393  15.144  -3.584
   17    H    THR   3           H        THR   3  -7.334  12.032  -6.063
   18    HA   THR   3           HA       THR   3  -8.698  10.383  -4.018
   19    HB   THR   3           HB       THR   3  -7.685   9.318  -6.643
   20    HG1  THR   3           HG1      THR   3  -9.043  10.943  -7.254
   21   1HG2  THR   3          2HG2      THR   3  -8.431   7.830  -4.729
   22   2HG2  THR   3          1HG2      THR   3 -10.045   8.510  -4.932
   23   3HG2  THR   3          3HG2      THR   3  -9.303   7.592  -6.243
   24    H    LEU   4           H        LEU   4  -7.560   8.854  -2.900
   25    HA   LEU   4           HA       LEU   4  -4.626   9.037  -3.120
   26   1HB   LEU   4          2HB       LEU   4  -6.500   8.338  -0.880
   27   2HB   LEU   4          1HB       LEU   4  -4.825   7.786  -0.837
   28    HG   LEU   4           HG       LEU   4  -5.357  10.658  -1.494
   29   1HD1  LEU   4          1HD1      LEU   4  -5.420   9.475   1.300
   30   2HD1  LEU   4          3HD1      LEU   4  -5.341  11.198   0.932
   31   3HD1  LEU   4          2HD1      LEU   4  -6.765  10.264   0.477
   32   1HD2  LEU   4          3HD2      LEU   4  -3.078   9.470  -1.487
   33   2HD2  LEU   4          2HD2      LEU   4  -3.187  10.965  -0.556
   34   3HD2  LEU   4          1HD2      LEU   4  -3.241   9.406   0.268
   35    H    LEU   5           H        LEU   5  -3.614   6.861  -2.199
   36    HA   LEU   5           HA       LEU   5  -4.476   4.784  -4.075
   37   1HB   LEU   5          2HB       LEU   5  -1.960   5.478  -2.673
   38   2HB   LEU   5          1HB       LEU   5  -2.262   3.755  -2.883
   39    HG   LEU   5           HG       LEU   5  -0.972   4.815  -4.772
   40   1HD1  LEU   5          2HD1      LEU   5  -3.538   3.330  -5.063
   41   2HD1  LEU   5          1HD1      LEU   5  -2.802   3.965  -6.535
   42   3HD1  LEU   5          3HD1      LEU   5  -1.900   2.850  -5.509
   43   1HD2  LEU   5          2HD2      LEU   5  -2.807   6.851  -4.559
   44   2HD2  LEU   5          1HD2      LEU   5  -1.776   6.582  -5.964
   45   3HD2  LEU   5          3HD2      LEU   5  -3.427   5.963  -5.950
   46    H    THR   6           H        THR   6  -6.381   4.179  -2.940
   47    HA   THR   6           HA       THR   6  -6.154   3.095  -0.256
   48    HB   THR   6           HB       THR   6  -8.585   2.365  -0.815
   49    HG1  THR   6           HG1      THR   6  -8.223   2.709  -3.099
   50   1HG2  THR   6          2HG2      THR   6  -7.759   5.280  -0.742
   51   2HG2  THR   6          1HG2      THR   6  -9.383   4.681  -0.401
   52   3HG2  THR   6          3HG2      THR   6  -8.041   4.241   0.655
   53    H    THR   7           H        THR   7  -7.187   0.884   0.118
   54    HA   THR   7           HA       THR   7  -5.590  -1.111  -1.068
   55    HB   THR   7           HB       THR   7  -8.246  -1.492   0.337
   56    HG1  THR   7           HG1      THR   7  -5.625  -1.477   1.413
   57   1HG2  THR   7          3HG2      THR   7  -5.948  -3.274  -0.406
   58   2HG2  THR   7          2HG2      THR   7  -6.905  -3.633   1.032
   59   3HG2  THR   7          1HG2      THR   7  -7.680  -3.573  -0.552
   60    H    ASP   8           H        ASP   8  -8.912  -0.078  -1.683
   61    HA   ASP   8           HA       ASP   8  -9.603  -2.046  -3.579
   62   1HB   ASP   8          2HB       ASP   8 -11.087  -0.226  -2.453
   63   2HB   ASP   8          1HB       ASP   8 -10.571   0.793  -3.798
   64    H    ASP   9           H        ASP   9  -7.727   0.902  -3.800
   65    HA   ASP   9           HA       ASP   9  -7.698   1.174  -6.621
   66   1HB   ASP   9          2HB       ASP   9  -6.922   2.933  -4.983
   67   2HB   ASP   9          1HB       ASP   9  -5.478   1.957  -4.717
   68    H    LEU  10           H        LEU  10  -5.513  -0.474  -4.340
   69    HA   LEU  10           HA       LEU  10  -3.661  -1.369  -6.269
   70   1HB   LEU  10          2HB       LEU  10  -2.608  -2.415  -4.535
   71   2HB   LEU  10          1HB       LEU  10  -3.698  -1.440  -3.566
   72    HG   LEU  10           HG       LEU  10  -5.291  -3.574  -3.892
   73   1HD1  LEU  10          1HD1      LEU  10  -3.195  -4.509  -5.269
   74   2HD1  LEU  10          3HD1      LEU  10  -2.673  -4.990  -3.655
   75   3HD1  LEU  10          2HD1      LEU  10  -4.209  -5.574  -4.296
   76   1HD2  LEU  10          2HD2      LEU  10  -2.972  -3.416  -1.942
   77   2HD2  LEU  10          1HD2      LEU  10  -4.556  -2.672  -1.728
   78   3HD2  LEU  10          3HD2      LEU  10  -4.402  -4.430  -1.736
   79    H    ARG  11           H        ARG  11  -6.751  -2.615  -5.227
   80    HA   ARG  11           HA       ARG  11  -6.632  -5.205  -6.334
   81   1HB   ARG  11          2HB       ARG  11  -8.452  -4.039  -4.837
   82   2HB   ARG  11          1HB       ARG  11  -9.173  -3.623  -6.388
   83   1HG   ARG  11          2HG       ARG  11 -10.134  -5.722  -5.702
   84   2HG   ARG  11          1HG       ARG  11  -9.017  -6.061  -7.023
   85   1HD   ARG  11          2HD       ARG  11  -7.381  -6.238  -4.805
   86   2HD   ARG  11          1HD       ARG  11  -8.900  -6.899  -4.210
   87    HE   ARG  11           HE       ARG  11  -8.181  -7.991  -6.768
   88   1HH1  ARG  11          1HH2      ARG  11  -9.256  -9.174  -4.009
   89   2HH1  ARG  11          2HH2      ARG  11  -8.036 -10.372  -3.731
   90   1HH2  ARG  11          2HH1      ARG  11  -5.874  -9.107  -6.129
   91   2HH2  ARG  11          1HH1      ARG  11  -6.121 -10.334  -4.932
   92    H    ARG  12           H        ARG  12  -8.080  -2.252  -7.685
   93    HA   ARG  12           HA       ARG  12  -8.755  -3.288 -10.195
   94   1HB   ARG  12          2HB       ARG  12  -8.619  -0.674  -8.954
   95   2HB   ARG  12          1HB       ARG  12  -8.068  -0.586 -10.625
   96   1HG   ARG  12          2HG       ARG  12 -10.313  -0.400 -11.041
   97   2HG   ARG  12          1HG       ARG  12 -10.241  -2.161 -10.957
   98   1HD   ARG  12          2HD       ARG  12 -10.774  -2.029  -8.526
   99   2HD   ARG  12          1HD       ARG  12 -10.945  -0.284  -8.684
  100    HE   ARG  12           HE       ARG  12 -12.681  -2.224 -10.110
  101   1HH1  ARG  12          1HH2      ARG  12 -13.347   0.248 -11.236
  102   2HH1  ARG  12          2HH2      ARG  12 -14.433   1.020 -10.128
  103   1HH2  ARG  12          2HH1      ARG  12 -13.561  -1.006  -7.451
  104   2HH2  ARG  12          1HH1      ARG  12 -14.554   0.309  -7.985
  105    H    ALA  13           H        ALA  13  -5.690  -2.074  -8.994
  106    HA   ALA  13           HA       ALA  13  -4.419  -1.850 -11.548
  107   1HB   ALA  13          1HB       ALA  13  -3.717  -0.823  -9.257
  108   2HB   ALA  13          3HB       ALA  13  -2.909  -2.371  -9.006
  109   3HB   ALA  13          2HB       ALA  13  -2.464  -1.355 -10.378
  110    H    LEU  14           H        LEU  14  -4.841  -4.430  -9.220
  111    HA   LEU  14           HA       LEU  14  -2.929  -6.183 -10.506
  112   1HB   LEU  14          2HB       LEU  14  -4.775  -6.388  -8.167
  113   2HB   LEU  14          1HB       LEU  14  -4.178  -7.873  -8.908
  114    HG   LEU  14           HG       LEU  14  -2.208  -5.696  -8.341
  115   1HD1  LEU  14          2HD1      LEU  14  -3.847  -6.277  -6.311
  116   2HD1  LEU  14          1HD1      LEU  14  -2.776  -7.672  -6.173
  117   3HD1  LEU  14          3HD1      LEU  14  -2.117  -6.041  -6.060
  118   1HD2  LEU  14          2HD2      LEU  14  -2.285  -8.650  -8.719
  119   2HD2  LEU  14          1HD2      LEU  14  -1.096  -7.477  -9.282
  120   3HD2  LEU  14          3HD2      LEU  14  -1.066  -8.027  -7.607
  121    H    VAL  15           H        VAL  15  -6.309  -5.471 -10.847
  122    HA   VAL  15           HA       VAL  15  -6.988  -8.003 -12.068
  123    HB   VAL  15           HB       VAL  15  -8.549  -5.415 -12.190
  124   1HG1  VAL  15          2HG1      VAL  15  -9.028  -8.264 -12.910
  125   2HG1  VAL  15          1HG1      VAL  15 -10.367  -7.402 -12.153
  126   3HG1  VAL  15          3HG1      VAL  15  -9.662  -6.794 -13.651
  127   1HG2  VAL  15          1HG2      VAL  15  -7.993  -7.221  -9.945
  128   2HG2  VAL  15          3HG2      VAL  15  -8.756  -5.631  -9.943
  129   3HG2  VAL  15          2HG2      VAL  15  -9.719  -7.069 -10.273
  130    H    GLU  16           H        GLU  16  -6.270  -4.716 -13.167
  131    HA   GLU  16           HA       GLU  16  -6.781  -5.192 -15.923
  132   1HB   GLU  16          2HB       GLU  16  -5.219  -3.100 -14.426
  133   2HB   GLU  16          1HB       GLU  16  -5.213  -3.151 -16.189
  134   1HG   GLU  16          2HG       GLU  16  -7.605  -2.894 -16.283
  135   2HG   GLU  16          1HG       GLU  16  -7.751  -3.110 -14.538
  136    H    CYS  17           H        CYS  17  -4.004  -5.712 -13.856
  137    HA   CYS  17           HA       CYS  17  -2.003  -5.962 -15.820
  138   1HB   CYS  17          2HB       CYS  17  -2.326  -7.150 -13.070
  139   2HB   CYS  17          1HB       CYS  17  -0.926  -7.518 -14.079
  140    HG   CYS  17           HG       CYS  17  -0.566  -5.329 -12.517
  141    H    ALA  18           H        ALA  18  -4.036  -8.459 -14.287
  142    HA   ALA  18           HA       ALA  18  -3.038 -10.630 -15.797
  143   1HB   ALA  18          2HB       ALA  18  -5.572 -10.165 -14.250
  144   2HB   ALA  18          1HB       ALA  18  -5.362 -11.633 -15.206
  145   3HB   ALA  18          3HB       ALA  18  -4.241 -11.267 -13.895
  146    H    GLY  19           H        GLY  19  -6.320  -9.280 -16.090
  147   1HA   GLY  19          2HA       GLY  19  -7.252  -8.422 -18.130
  148   2HA   GLY  19          1HA       GLY  19  -6.047  -9.340 -19.026
  149    H    GLU  20           H        GLU  20  -7.865 -10.676 -16.343
  150    HA   GLU  20           HA       GLU  20  -9.896 -11.901 -17.949
  151   1HB   GLU  20          2HB       GLU  20  -8.962 -14.290 -17.155
  152   2HB   GLU  20          1HB       GLU  20  -8.577 -13.596 -18.725
  153   1HG   GLU  20          2HG       GLU  20  -6.388 -13.234 -18.176
  154   2HG   GLU  20          1HG       GLU  20  -6.772 -12.787 -16.514
  155    H    THR  21           H        THR  21  -8.140 -13.210 -15.136
  156    HA   THR  21           HA       THR  21  -9.828 -12.182 -13.140
  157    HB   THR  21           HB       THR  21 -11.648 -13.439 -14.071
  158    HG1  THR  21           HG1      THR  21 -12.134 -14.177 -12.183
  159   1HG2  THR  21          1HG2      THR  21 -10.119 -14.973 -15.400
  160   2HG2  THR  21          3HG2      THR  21  -9.921 -15.917 -13.924
  161   3HG2  THR  21          2HG2      THR  21 -11.515 -15.758 -14.663
  162    H    ASP  22           H        ASP  22  -8.528 -12.269 -11.455
  163    HA   ASP  22           HA       ASP  22  -6.714 -14.583 -11.165
  164   1HB   ASP  22          2HB       ASP  22  -5.443 -13.086  -9.606
  165   2HB   ASP  22          1HB       ASP  22  -5.504 -12.492 -11.266
  166    H    GLY  23           H        GLY  23  -9.607 -14.413 -10.352
  167   1HA   GLY  23          2HA       GLY  23 -10.891 -15.164  -8.594
  168   2HA   GLY  23          1HA       GLY  23  -9.396 -15.734  -7.857
  169    H    THR  24           H        THR  24 -11.951 -13.735  -7.396
  170    HA   THR  24           HA       THR  24 -10.499 -12.195  -5.372
  171    HB   THR  24           HB       THR  24 -12.591 -10.668  -6.796
  172    HG1  THR  24           HG1      THR  24 -11.672 -11.250  -8.634
  173   1HG2  THR  24          1HG2      THR  24 -11.069  -9.911  -4.877
  174   2HG2  THR  24          3HG2      THR  24  -9.770  -9.879  -6.069
  175   3HG2  THR  24          2HG2      THR  24 -11.176  -8.834  -6.269
  176    H    ASP  25           H        ASP  25 -11.463 -12.433  -3.530
  177    HA   ASP  25           HA       ASP  25 -14.375 -12.435  -3.311
  178   1HB   ASP  25          2HB       ASP  25 -13.373 -14.864  -3.545
  179   2HB   ASP  25          1HB       ASP  25 -12.930 -14.615  -1.856
  180    H    LEU  26           H        LEU  26 -14.385 -10.622  -2.092
  181    HA   LEU  26           HA       LEU  26 -12.533 -10.238   0.097
  182   1HB   LEU  26          2HB       LEU  26 -14.901  -8.655  -0.911
  183   2HB   LEU  26          1HB       LEU  26 -14.029  -8.212   0.553
  184    HG   LEU  26           HG       LEU  26 -13.158  -6.949  -1.359
  185   1HD1  LEU  26          2HD1      LEU  26 -11.643  -8.194   0.486
  186   2HD1  LEU  26          1HD1      LEU  26 -10.975  -8.930  -0.971
  187   3HD1  LEU  26          3HD1      LEU  26 -10.953  -7.177  -0.780
  188   1HD2  LEU  26          3HD2      LEU  26 -13.806  -8.880  -2.979
  189   2HD2  LEU  26          2HD2      LEU  26 -12.359  -7.938  -3.337
  190   3HD2  LEU  26          1HD2      LEU  26 -12.213  -9.530  -2.592
  191    H    SER  27           H        SER  27 -13.030 -12.131   1.337
  192    HA   SER  27           HA       SER  27 -15.240 -11.665   3.196
  193   1HB   SER  27          2HB       SER  27 -16.001 -13.227   1.286
  194   2HB   SER  27          1HB       SER  27 -14.913 -14.412   2.003
  195    HG   SER  27           HG       SER  27 -16.201 -14.587   3.685
  196    H    GLY  28           H        GLY  28 -12.355 -11.484   3.359
  197   1HA   GLY  28          2HA       GLY  28 -11.721 -12.350   5.815
  198   2HA   GLY  28          1HA       GLY  28 -11.483 -13.819   4.871
  199    H    ASP  29           H        ASP  29 -10.796 -10.379   4.257
  200    HA   ASP  29           HA       ASP  29  -8.875  -9.287   3.626
  201   1HB   ASP  29          2HB       ASP  29  -7.872 -11.501   5.346
  202   2HB   ASP  29          1HB       ASP  29  -6.693 -10.656   4.343
  203    H    PHE  30           H        PHE  30  -7.273  -9.261   1.995
  204    HA   PHE  30           HA       PHE  30  -7.096 -11.696   0.344
  205   1HB   PHE  30          2HB       PHE  30  -7.628 -10.560  -1.665
  206   2HB   PHE  30          1HB       PHE  30  -8.849 -10.034  -0.514
  207    HD1  PHE  30           HD1      PHE  30  -8.185  -7.844   0.879
  208    HD2  PHE  30           HD2      PHE  30  -6.512  -8.947  -2.917
  209    HE1  PHE  30           HE1      PHE  30  -7.516  -5.495   0.488
  210    HE2  PHE  30           HE2      PHE  30  -5.845  -6.595  -3.311
  211    HZ   PHE  30           HZ       PHE  30  -6.344  -4.868  -1.609
  212    H    LEU  31           H        LEU  31  -5.262 -10.164   2.229
  213    HA   LEU  31           HA       LEU  31  -3.102  -9.638   0.288
  214   1HB   LEU  31          2HB       LEU  31  -3.499  -8.445   3.047
  215   2HB   LEU  31          1HB       LEU  31  -2.177  -8.071   1.938
  216    HG   LEU  31           HG       LEU  31  -5.057  -7.777   1.088
  217   1HD1  LEU  31          3HD1      LEU  31  -3.454  -6.033   2.884
  218   2HD1  LEU  31          2HD1      LEU  31  -4.363  -5.230   1.602
  219   3HD1  LEU  31          1HD1      LEU  31  -5.203  -6.242   2.776
  220   1HD2  LEU  31          2HD2      LEU  31  -2.366  -6.799   0.149
  221   2HD2  LEU  31          1HD2      LEU  31  -3.616  -7.644  -0.765
  222   3HD2  LEU  31          3HD2      LEU  31  -3.842  -5.954  -0.318
  223    H    ASP  32           H        ASP  32  -2.140  -9.752   3.601
  224    HA   ASP  32           HA       ASP  32  -0.529 -11.131   4.559
  225   1HB   ASP  32          2HB       ASP  32  -3.044 -12.695   4.163
  226   2HB   ASP  32          1HB       ASP  32  -1.631 -13.513   4.828
  227    H    LEU  33           H        LEU  33   0.454 -10.825   2.126
  228    HA   LEU  33           HA       LEU  33   1.929 -11.778   0.628
  229   1HB   LEU  33          2HB       LEU  33   2.299 -13.360   2.762
  230   2HB   LEU  33          1HB       LEU  33   1.551 -14.539   1.684
  231    HG   LEU  33           HG       LEU  33   3.283 -13.440  -0.051
  232   1HD1  LEU  33          1HD1      LEU  33   4.054 -11.954   1.947
  233   2HD1  LEU  33          3HD1      LEU  33   4.882 -13.409   2.504
  234   3HD1  LEU  33          2HD1      LEU  33   5.288 -12.708   0.938
  235   1HD2  LEU  33          3HD2      LEU  33   3.026 -15.854   0.717
  236   2HD2  LEU  33          2HD2      LEU  33   4.671 -15.369   0.308
  237   3HD2  LEU  33          1HD2      LEU  33   4.180 -15.485   1.998
  238    H    ARG  34           H        ARG  34   0.500 -11.415  -1.064
  239    HA   ARG  34           HA       ARG  34  -1.022 -13.783  -1.962
  240   1HB   ARG  34          2HB       ARG  34  -2.320 -11.664  -1.142
  241   2HB   ARG  34          1HB       ARG  34  -1.834 -10.988  -2.695
  242   1HG   ARG  34          2HG       ARG  34  -3.986 -12.020  -3.011
  243   2HG   ARG  34          1HG       ARG  34  -2.791 -13.056  -3.792
  244   1HD   ARG  34          2HD       ARG  34  -3.073 -14.746  -2.282
  245   2HD   ARG  34          1HD       ARG  34  -3.320 -13.641  -0.935
  246    HE   ARG  34           HE       ARG  34  -5.591 -13.340  -2.414
  247   1HH1  ARG  34          2HH1      ARG  34  -4.460 -15.377  -0.031
  248   2HH1  ARG  34          1HH1      ARG  34  -5.600 -16.653  -0.301
  249   1HH2  ARG  34          1HH2      ARG  34  -6.822 -15.296  -3.249
  250   2HH2  ARG  34          2HH2      ARG  34  -6.938 -16.606  -2.123
  251    H    PHE  35           H        PHE  35   1.762 -12.590  -2.585
  252    HA   PHE  35           HA       PHE  35   1.414 -12.093  -5.465
  253   1HB   PHE  35          2HB       PHE  35   3.508 -11.410  -3.460
  254   2HB   PHE  35          1HB       PHE  35   4.042 -11.716  -5.112
  255    HD1  PHE  35           HD2      PHE  35   0.819 -10.192  -3.933
  256    HD2  PHE  35           HD1      PHE  35   4.558  -9.576  -5.966
  257    HE1  PHE  35           HE2      PHE  35   0.086  -7.918  -4.598
  258    HE2  PHE  35           HE1      PHE  35   3.821  -7.305  -6.625
  259    HZ   PHE  35           HZ       PHE  35   1.590  -6.474  -5.943
  260    H    GLU  36           H        GLU  36   2.669 -14.406  -3.172
  261    HA   GLU  36           HA       GLU  36   3.930 -15.955  -5.329
  262   1HB   GLU  36          2HB       GLU  36   4.790 -15.457  -2.779
  263   2HB   GLU  36          1HB       GLU  36   4.021 -17.030  -2.582
  264   1HG   GLU  36          2HG       GLU  36   5.348 -17.899  -4.490
  265   2HG   GLU  36          1HG       GLU  36   6.150 -16.333  -4.625
  266    H    ASP  37           H        ASP  37   1.294 -16.018  -3.021
  267    HA   ASP  37           HA       ASP  37   0.581 -18.759  -3.408
  268   1HB   ASP  37          2HB       ASP  37  -0.103 -17.067  -1.511
  269   2HB   ASP  37          1HB       ASP  37  -1.435 -16.695  -2.606
  270    H    ILE  38           H        ILE  38  -0.876 -15.719  -4.586
  271    HA   ILE  38           HA       ILE  38  -2.771 -16.943  -6.277
  272    HB   ILE  38           HB       ILE  38  -2.703 -14.525  -5.466
  273   1HG1  ILE  38          2HG1      ILE  38  -4.325 -15.417  -7.142
  274   2HG1  ILE  38          1HG1      ILE  38  -3.959 -13.713  -7.372
  275   1HG2  ILE  38          2HG2      ILE  38  -0.383 -14.039  -6.211
  276   2HG2  ILE  38          1HG2      ILE  38  -0.922 -14.152  -7.886
  277   3HG2  ILE  38          3HG2      ILE  38  -1.556 -12.881  -6.839
  278   1HD1  ILE  38          1HD1      ILE  38  -2.062 -14.886  -8.973
  279   2HD1  ILE  38          3HD1      ILE  38  -3.406 -16.015  -9.135
  280   3HD1  ILE  38          2HD1      ILE  38  -3.628 -14.314  -9.541
  281    H    GLY  39           H        GLY  39   0.566 -15.952  -6.791
  282   1HA   GLY  39          2HA       GLY  39   1.938 -17.259  -8.324
  283   2HA   GLY  39          1HA       GLY  39   0.531 -17.393  -9.375
  284    H    TYR  40           H        TYR  40   1.304 -14.386  -7.779
  285    HA   TYR  40           HA       TYR  40   1.593 -13.077 -10.356
  286   1HB   TYR  40          2HB       TYR  40   0.849 -12.281  -7.676
  287   2HB   TYR  40          1HB       TYR  40   2.136 -11.233  -8.269
  288    HD1  TYR  40           HD2      TYR  40  -1.195 -12.655  -9.181
  289    HD2  TYR  40           HD1      TYR  40   1.694  -9.547  -9.863
  290    HE1  TYR  40           HE2      TYR  40  -2.826 -11.456 -10.611
  291    HE2  TYR  40           HE1      TYR  40   0.061  -8.349 -11.297
  292    HH   TYR  40           HH       TYR  40  -2.397  -9.580 -12.707
  293    H    ASP  41           H        ASP  41   3.559 -13.713 -11.204
  294    HA   ASP  41           HA       ASP  41   5.978 -13.818  -9.735
  295   1HB   ASP  41          2HB       ASP  41   7.075 -13.707 -12.008
  296   2HB   ASP  41          1HB       ASP  41   5.909 -15.009 -11.804
  297    H    SER  42           H        SER  42   7.622 -12.387  -9.543
  298    HA   SER  42           HA       SER  42   6.946  -9.641  -9.336
  299   1HB   SER  42          2HB       SER  42   9.412 -11.262  -8.982
  300   2HB   SER  42          1HB       SER  42   9.626  -9.535  -9.249
  301    HG   SER  42           HG       SER  42   8.409 -10.906  -7.142
  302    H    LEU  43           H        LEU  43   8.548 -11.533 -11.826
  303    HA   LEU  43           HA       LEU  43   9.649  -9.410 -13.317
  304   1HB   LEU  43          2HB       LEU  43   9.904 -12.028 -13.549
  305   2HB   LEU  43          1HB       LEU  43   8.600 -11.828 -14.720
  306    HG   LEU  43           HG       LEU  43  10.189  -9.792 -15.496
  307   1HD1  LEU  43          2HD1      LEU  43  11.925 -11.794 -14.073
  308   2HD1  LEU  43          1HD1      LEU  43  12.549 -10.935 -15.482
  309   3HD1  LEU  43          3HD1      LEU  43  12.022 -10.033 -14.060
  310   1HD2  LEU  43          2HD2      LEU  43  10.288 -12.724 -16.234
  311   2HD2  LEU  43          1HD2      LEU  43   9.445 -11.418 -17.067
  312   3HD2  LEU  43          3HD2      LEU  43  11.206 -11.509 -17.124
  313    H    ALA  44           H        ALA  44   6.363 -10.450 -12.969
  314    HA   ALA  44           HA       ALA  44   5.512  -9.170 -15.452
  315   1HB   ALA  44          3HB       ALA  44   4.134 -10.773 -13.323
  316   2HB   ALA  44          2HB       ALA  44   3.190  -9.793 -14.445
  317   3HB   ALA  44          1HB       ALA  44   4.232 -11.077 -15.057
  318    H    LEU  45           H        LEU  45   4.728  -8.826 -11.982
  319    HA   LEU  45           HA       LEU  45   3.313  -6.391 -12.315
  320   1HB   LEU  45          2HB       LEU  45   3.445  -6.203  -9.864
  321   2HB   LEU  45          1HB       LEU  45   2.955  -7.817 -10.371
  322    HG   LEU  45           HG       LEU  45   5.646  -8.148 -10.307
  323   1HD1  LEU  45          2HD1      LEU  45   4.962  -5.817  -8.591
  324   2HD1  LEU  45          1HD1      LEU  45   6.041  -7.020  -7.886
  325   3HD1  LEU  45          3HD1      LEU  45   6.481  -6.217  -9.393
  326   1HD2  LEU  45          1HD2      LEU  45   3.410  -8.623  -8.418
  327   2HD2  LEU  45          3HD2      LEU  45   4.579  -9.761  -9.087
  328   3HD2  LEU  45          2HD2      LEU  45   5.023  -8.744  -7.717
  329    H    MET  46           H        MET  46   6.665  -6.989 -12.426
  330    HA   MET  46           HA       MET  46   7.639  -4.612 -11.207
  331   1HB   MET  46          2HB       MET  46   9.046  -6.613 -11.761
  332   2HB   MET  46          1HB       MET  46   8.931  -6.164 -13.461
  333   1HG   MET  46          2HG       MET  46   9.774  -4.032 -11.556
  334   2HG   MET  46          1HG       MET  46  10.939  -5.315 -11.881
  335   1HE   MET  46          1HE       MET  46  12.515  -3.815 -12.602
  336   2HE   MET  46          3HE       MET  46  12.678  -4.970 -13.932
  337   3HE   MET  46          2HE       MET  46  12.706  -3.238 -14.257
  338    H    GLU  47           H        GLU  47   6.358  -5.346 -14.382
  339    HA   GLU  47           HA       GLU  47   7.275  -2.890 -15.591
  340   1HB   GLU  47          2HB       GLU  47   6.751  -5.049 -16.838
  341   2HB   GLU  47          1HB       GLU  47   5.046  -4.663 -16.596
  342   1HG   GLU  47          2HG       GLU  47   5.366  -2.499 -17.731
  343   2HG   GLU  47          1HG       GLU  47   7.073  -2.871 -17.967
  344    H    THR  48           H        THR  48   4.294  -4.079 -14.128
  345    HA   THR  48           HA       THR  48   2.587  -1.956 -14.823
  346    HB   THR  48           HB       THR  48   2.497  -3.512 -12.232
  347    HG1  THR  48           HG1      THR  48   1.517  -4.159 -14.812
  348   1HG2  THR  48          3HG2      THR  48   0.966  -1.430 -12.934
  349   2HG2  THR  48          2HG2      THR  48   0.101  -2.697 -13.803
  350   3HG2  THR  48          1HG2      THR  48   0.313  -2.814 -12.057
  351    H    ALA  49           H        ALA  49   4.649  -2.419 -11.966
  352    HA   ALA  49           HA       ALA  49   3.973   0.160 -10.859
  353   1HB   ALA  49          3HB       ALA  49   6.077  -1.878 -10.108
  354   2HB   ALA  49          2HB       ALA  49   5.786  -0.385  -9.215
  355   3HB   ALA  49          1HB       ALA  49   4.523  -1.613  -9.318
  356    H    ALA  50           H        ALA  50   6.416  -1.116 -12.989
  357    HA   ALA  50           HA       ALA  50   8.394   0.880 -12.624
  358   1HB   ALA  50          1HB       ALA  50   7.743  -1.007 -14.879
  359   2HB   ALA  50          3HB       ALA  50   9.026   0.194 -15.033
  360   3HB   ALA  50          2HB       ALA  50   9.119  -1.039 -13.776
  361    H    ARG  51           H        ARG  51   5.460   0.729 -14.536
  362    HA   ARG  51           HA       ARG  51   6.088   3.223 -15.926
  363   1HB   ARG  51          2HB       ARG  51   4.773   1.118 -16.850
  364   2HB   ARG  51          1HB       ARG  51   3.401   1.924 -16.089
  365   1HG   ARG  51          2HG       ARG  51   3.596   3.824 -17.456
  366   2HG   ARG  51          1HG       ARG  51   5.270   3.466 -17.875
  367   1HD   ARG  51          2HD       ARG  51   4.062   2.869 -19.813
  368   2HD   ARG  51          1HD       ARG  51   4.341   1.336 -18.993
  369    HE   ARG  51           HE       ARG  51   1.963   1.822 -18.032
  370   1HH1  ARG  51          1HH2      ARG  51   1.144   4.068 -19.654
  371   2HH1  ARG  51          2HH2      ARG  51   0.476   3.358 -21.085
  372   1HH2  ARG  51          2HH1      ARG  51   1.954   0.265 -20.558
  373   2HH2  ARG  51          1HH1      ARG  51   0.935   1.204 -21.597
  374    H    LEU  52           H        LEU  52   3.989   2.000 -13.387
  375    HA   LEU  52           HA       LEU  52   2.523   4.472 -13.110
  376   1HB   LEU  52          2HB       LEU  52   2.379   1.775 -12.031
  377   2HB   LEU  52          1HB       LEU  52   2.156   2.979 -10.767
  378    HG   LEU  52           HG       LEU  52  -0.001   2.382 -11.781
  379   1HD1  LEU  52          2HD1      LEU  52   0.782   4.844 -11.156
  380   2HD1  LEU  52          1HD1      LEU  52   0.537   5.110 -12.881
  381   3HD1  LEU  52          3HD1      LEU  52  -0.800   4.549 -11.877
  382   1HD2  LEU  52          1HD2      LEU  52   1.545   2.827 -14.269
  383   2HD2  LEU  52          3HD2      LEU  52   0.169   1.766 -13.973
  384   3HD2  LEU  52          2HD2      LEU  52  -0.092   3.483 -14.281
  385    H    GLU  53           H        GLU  53   5.628   3.540 -12.170
  386    HA   GLU  53           HA       GLU  53   5.661   4.903  -9.620
  387   1HB   GLU  53          2HB       GLU  53   8.089   4.477  -9.677
  388   2HB   GLU  53          1HB       GLU  53   7.166   3.011  -9.998
  389   1HG   GLU  53          2HG       GLU  53   8.452   2.780 -11.848
  390   2HG   GLU  53          1HG       GLU  53   7.501   4.096 -12.533
  391    H    SER  54           H        SER  54   6.350   5.676 -12.959
  392    HA   SER  54           HA       SER  54   7.691   8.170 -12.293
  393   1HB   SER  54          2HB       SER  54   7.866   8.496 -14.691
  394   2HB   SER  54          1HB       SER  54   8.332   6.844 -14.303
  395    HG   SER  54           HG       SER  54   6.740   6.193 -15.497
  396    H    ARG  55           H        ARG  55   4.520   7.067 -13.304
  397    HA   ARG  55           HA       ARG  55   3.506   9.689 -13.906
  398   1HB   ARG  55          2HB       ARG  55   2.649   7.243 -14.583
  399   2HB   ARG  55          1HB       ARG  55   1.637   7.498 -13.161
  400   1HG   ARG  55          2HG       ARG  55   0.539   9.324 -14.099
  401   2HG   ARG  55          1HG       ARG  55   1.876   9.696 -15.189
  402   1HD   ARG  55          2HD       ARG  55   0.505   8.715 -16.732
  403   2HD   ARG  55          1HD       ARG  55   1.235   7.241 -16.104
  404    HE   ARG  55           HE       ARG  55  -1.045   7.898 -14.551
  405   1HH1  ARG  55          2HH1      ARG  55  -1.226   8.008 -17.829
  406   2HH1  ARG  55          1HH1      ARG  55  -2.188   6.585 -18.049
  407   1HH2  ARG  55          1HH2      ARG  55  -1.821   5.509 -14.773
  408   2HH2  ARG  55          2HH2      ARG  55  -2.525   5.169 -16.319
  409    H    TYR  56           H        TYR  56   3.108   7.429 -11.179
  410    HA   TYR  56           HA       TYR  56   1.625   9.398  -9.643
  411   1HB   TYR  56          2HB       TYR  56   2.504   6.567  -9.180
  412   2HB   TYR  56          1HB       TYR  56   1.989   7.556  -7.816
  413    HD1  TYR  56           HD2      TYR  56   0.786   7.324 -11.375
  414    HD2  TYR  56           HD1      TYR  56  -0.185   6.956  -7.205
  415    HE1  TYR  56           HE2      TYR  56  -1.586   6.912 -11.963
  416    HE2  TYR  56           HE1      TYR  56  -2.558   6.546  -7.800
  417    HH   TYR  56           HH       TYR  56  -3.972   7.322 -10.369
  418    H    GLY  57           H        GLY  57   4.835   7.895  -9.578
  419   1HA   GLY  57          2HA       GLY  57   6.835   8.854  -8.836
  420   2HA   GLY  57          1HA       GLY  57   5.919  10.222  -8.215
  421    H    VAL  58           H        VAL  58   6.802   6.855  -7.577
  422    HA   VAL  58           HA       VAL  58   6.042   7.196  -4.767
  423    HB   VAL  58           HB       VAL  58   5.188   5.192  -5.925
  424   1HG1  VAL  58          1HG1      VAL  58   7.090   4.915  -7.510
  425   2HG1  VAL  58          3HG1      VAL  58   8.100   4.393  -6.162
  426   3HG1  VAL  58          2HG1      VAL  58   6.707   3.428  -6.646
  427   1HG2  VAL  58          3HG2      VAL  58   5.897   5.257  -3.455
  428   2HG2  VAL  58          2HG2      VAL  58   5.695   3.666  -4.190
  429   3HG2  VAL  58          1HG2      VAL  58   7.312   4.337  -3.966
  430    H    SER  59           H        SER  59   8.757   6.334  -6.853
  431    HA   SER  59           HA       SER  59  10.667   7.449  -5.032
  432   1HB   SER  59          2HB       SER  59  11.862   5.420  -4.443
  433   2HB   SER  59          1HB       SER  59  10.195   5.285  -3.897
  434    HG   SER  59           HG       SER  59  11.367   4.166  -6.229
  435    H    ILE  60           H        ILE  60  12.988   6.559  -5.789
  436    HA   ILE  60           HA       ILE  60  13.059   7.150  -8.639
  437    HB   ILE  60           HB       ILE  60  15.427   6.693  -6.818
  438   1HG1  ILE  60          2HG1      ILE  60  15.236   9.405  -7.160
  439   2HG1  ILE  60          1HG1      ILE  60  13.533   8.959  -7.052
  440   1HG2  ILE  60          1HG2      ILE  60  15.758   6.630  -9.307
  441   2HG2  ILE  60          3HG2      ILE  60  15.137   8.279  -9.380
  442   3HG2  ILE  60          2HG2      ILE  60  16.631   7.936  -8.506
  443   1HD1  ILE  60          2HD1      ILE  60  14.611   7.467  -5.018
  444   2HD1  ILE  60          1HD1      ILE  60  15.624   8.910  -4.973
  445   3HD1  ILE  60          3HD1      ILE  60  13.875   9.055  -4.805
  446    HA   PRO  61           HA       PRO  61  15.078   2.849  -8.786
  447   1HB   PRO  61          2HB       PRO  61  14.960   1.224  -6.594
  448   2HB   PRO  61          1HB       PRO  61  16.274   2.373  -6.894
  449   1HG   PRO  61          2HG       PRO  61  14.062   2.522  -4.937
  450   2HG   PRO  61          1HG       PRO  61  15.662   3.271  -4.887
  451   1HD   PRO  61          2HD       PRO  61  13.215   4.539  -5.590
  452   2HD   PRO  61          1HD       PRO  61  14.849   5.216  -5.749
  453    H    ASP  62           H        ASP  62  14.001   1.251  -9.839
  454    HA   ASP  62           HA       ASP  62  11.159   0.870  -9.233
  455   1HB   ASP  62          2HB       ASP  62  12.901   0.163 -11.591
  456   2HB   ASP  62          1HB       ASP  62  11.272  -0.491 -11.409
  457    H    ASP  63           H        ASP  63  14.209  -0.824  -9.115
  458    HA   ASP  63           HA       ASP  63  13.346  -3.482  -9.014
  459   1HB   ASP  63          2HB       ASP  63  15.428  -3.888  -7.682
  460   2HB   ASP  63          1HB       ASP  63  15.700  -2.981  -9.169
  461    H    VAL  64           H        VAL  64  12.998  -0.941  -6.675
  462    HA   VAL  64           HA       VAL  64  12.805  -2.433  -4.305
  463    HB   VAL  64           HB       VAL  64  12.912   0.036  -4.369
  464   1HG1  VAL  64          2HG1      VAL  64  11.302   0.233  -6.328
  465   2HG1  VAL  64          1HG1      VAL  64   9.996  -0.033  -5.173
  466   3HG1  VAL  64          3HG1      VAL  64  11.041   1.380  -5.014
  467   1HG2  VAL  64          3HG2      VAL  64  12.024  -1.165  -2.371
  468   2HG2  VAL  64          2HG2      VAL  64  11.318   0.440  -2.561
  469   3HG2  VAL  64          1HG2      VAL  64  10.394  -0.989  -3.023
  470    H    ALA  65           H        ALA  65  10.351  -1.594  -6.718
  471    HA   ALA  65           HA       ALA  65   8.253  -3.016  -5.316
  472   1HB   ALA  65          2HB       ALA  65   8.450  -1.531  -7.911
  473   2HB   ALA  65          1HB       ALA  65   7.095  -2.626  -7.638
  474   3HB   ALA  65          3HB       ALA  65   7.360  -1.262  -6.550
  475    H    GLY  66           H        GLY  66  10.507  -3.629  -7.923
  476   1HA   GLY  66          2HA       GLY  66   9.298  -5.900  -9.066
  477   2HA   GLY  66          1HA       GLY  66  11.019  -5.533  -9.110
  478    H    ARG  67           H        ARG  67  11.162  -5.481  -6.135
  479    HA   ARG  67           HA       ARG  67  11.297  -8.399  -5.752
  480   1HB   ARG  67          2HB       ARG  67  13.252  -6.595  -5.361
  481   2HB   ARG  67          1HB       ARG  67  12.505  -6.549  -3.764
  482   1HG   ARG  67          2HG       ARG  67  12.694  -9.013  -3.613
  483   2HG   ARG  67          1HG       ARG  67  13.476  -9.041  -5.193
  484   1HD   ARG  67          2HD       ARG  67  15.162  -7.373  -4.166
  485   2HD   ARG  67          1HD       ARG  67  14.506  -7.873  -2.611
  486    HE   ARG  67           HE       ARG  67  16.238  -9.424  -4.326
  487   1HH1  ARG  67          1HH2      ARG  67  14.176 -11.416  -4.056
  488   2HH1  ARG  67          2HH2      ARG  67  14.450 -12.132  -2.504
  489   1HH2  ARG  67          2HH1      ARG  67  16.432  -9.527  -1.359
  490   2HH2  ARG  67          1HH1      ARG  67  15.729 -11.063  -0.976
  491    H    VAL  68           H        VAL  68   8.795  -6.954  -5.542
  492    HA   VAL  68           HA       VAL  68   8.239  -6.749  -2.692
  493    HB   VAL  68           HB       VAL  68   7.194  -5.178  -4.319
  494   1HG1  VAL  68          3HG1      VAL  68   6.879  -7.001  -6.093
  495   2HG1  VAL  68          2HG1      VAL  68   5.465  -7.509  -5.173
  496   3HG1  VAL  68          1HG1      VAL  68   5.526  -5.891  -5.870
  497   1HG2  VAL  68          1HG2      VAL  68   5.659  -6.913  -2.441
  498   2HG2  VAL  68          3HG2      VAL  68   5.935  -5.173  -2.394
  499   3HG2  VAL  68          2HG2      VAL  68   4.727  -5.843  -3.488
  500    H    ASP  69           H        ASP  69   7.630  -8.396  -1.473
  501    HA   ASP  69           HA       ASP  69   6.738 -10.876  -2.785
  502   1HB   ASP  69          2HB       ASP  69   8.666 -10.606  -0.947
  503   2HB   ASP  69          1HB       ASP  69   7.289 -10.792   0.138
  504    H    THR  70           H        THR  70   5.725  -8.373  -0.566
  505    HA   THR  70           HA       THR  70   3.242  -9.838   0.022
  506    HB   THR  70           HB       THR  70   2.999  -7.596   1.493
  507    HG1  THR  70           HG1      THR  70   5.156  -7.192   2.293
  508   1HG2  THR  70          3HG2      THR  70   3.120 -10.086   2.146
  509   2HG2  THR  70          2HG2      THR  70   4.843  -9.805   2.400
  510   3HG2  THR  70          1HG2      THR  70   3.655  -8.910   3.348
  511    HA   PRO  71           HA       PRO  71   0.990  -7.136  -2.676
  512   1HB   PRO  71          2HB       PRO  71  -1.525  -7.488  -1.669
  513   2HB   PRO  71          1HB       PRO  71  -0.664  -8.723  -2.600
  514   1HG   PRO  71          2HG       PRO  71  -1.277  -8.646   0.278
  515   2HG   PRO  71          1HG       PRO  71  -0.883 -10.029  -0.749
  516   1HD   PRO  71          2HD       PRO  71   0.862  -8.643   1.069
  517   2HD   PRO  71          1HD       PRO  71   1.276  -9.994  -0.008
  518    H    ARG  72           H        ARG  72  -0.190  -6.831   0.681
  519    HA   ARG  72           HA       ARG  72  -1.185  -4.216   0.508
  520   1HB   ARG  72          2HB       ARG  72  -1.365  -5.983   2.428
  521   2HB   ARG  72          1HB       ARG  72   0.101  -5.212   3.029
  522   1HG   ARG  72          2HG       ARG  72  -1.043  -3.014   2.969
  523   2HG   ARG  72          1HG       ARG  72  -2.517  -3.810   2.416
  524   1HD   ARG  72          2HD       ARG  72  -2.412  -5.240   4.499
  525   2HD   ARG  72          1HD       ARG  72  -1.104  -4.205   5.063
  526    HE   ARG  72           HE       ARG  72  -2.672  -2.528   5.493
  527   1HH1  ARG  72          2HH1      ARG  72  -4.475  -1.579   3.944
  528   2HH1  ARG  72          1HH1      ARG  72  -5.910  -2.548   3.950
  529   1HH2  ARG  72          1HH2      ARG  72  -4.358  -5.310   5.362
  530   2HH2  ARG  72          2HH2      ARG  72  -5.844  -4.661   4.753
  531    H    GLU  73           H        GLU  73   2.083  -5.363   0.656
  532    HA   GLU  73           HA       GLU  73   3.355  -3.100   1.770
  533   1HB   GLU  73          2HB       GLU  73   4.429  -5.336   1.400
  534   2HB   GLU  73          1HB       GLU  73   4.476  -4.974  -0.326
  535   1HG   GLU  73          2HG       GLU  73   5.567  -2.865   1.447
  536   2HG   GLU  73          1HG       GLU  73   6.494  -4.364   1.392
  537    H    LEU  74           H        LEU  74   2.704  -4.016  -1.607
  538    HA   LEU  74           HA       LEU  74   3.898  -1.833  -2.878
  539   1HB   LEU  74          2HB       LEU  74   2.605  -4.024  -3.766
  540   2HB   LEU  74          1HB       LEU  74   1.344  -2.820  -4.026
  541    HG   LEU  74           HG       LEU  74   3.405  -1.441  -5.032
  542   1HD1  LEU  74          3HD1      LEU  74   4.225  -4.321  -5.019
  543   2HD1  LEU  74          2HD1      LEU  74   4.631  -3.341  -6.429
  544   3HD1  LEU  74          1HD1      LEU  74   5.216  -2.874  -4.831
  545   1HD2  LEU  74          3HD2      LEU  74   1.210  -2.322  -6.102
  546   2HD2  LEU  74          2HD2      LEU  74   2.572  -1.999  -7.175
  547   3HD2  LEU  74          1HD2      LEU  74   2.201  -3.654  -6.695
  548    H    LEU  75           H        LEU  75   0.567  -2.198  -1.684
  549    HA   LEU  75           HA       LEU  75  -0.488   0.241  -2.551
  550   1HB   LEU  75          2HB       LEU  75  -1.834  -1.581  -1.540
  551   2HB   LEU  75          1HB       LEU  75  -1.119  -1.221   0.030
  552    HG   LEU  75           HG       LEU  75  -1.993   1.189  -0.345
  553   1HD1  LEU  75          3HD1      LEU  75  -2.539   0.441  -2.824
  554   2HD1  LEU  75          2HD1      LEU  75  -4.040  -0.121  -2.091
  555   3HD1  LEU  75          1HD1      LEU  75  -3.588   1.578  -1.982
  556   1HD2  LEU  75          1HD2      LEU  75  -3.566  -1.273   0.306
  557   2HD2  LEU  75          3HD2      LEU  75  -3.109   0.072   1.352
  558   3HD2  LEU  75          2HD2      LEU  75  -4.428   0.260   0.196
  559    H    ASP  76           H        ASP  76   0.813  -0.472   0.699
  560    HA   ASP  76           HA       ASP  76   0.756   2.176   1.635
  561   1HB   ASP  76          2HB       ASP  76   1.120  -0.032   2.942
  562   2HB   ASP  76          1HB       ASP  76   2.825   0.201   2.553
  563    H    LEU  77           H        LEU  77   2.907   0.683  -0.609
  564    HA   LEU  77           HA       LEU  77   5.202   2.298  -0.079
  565   1HB   LEU  77          2HB       LEU  77   4.883   0.066  -1.510
  566   2HB   LEU  77          1HB       LEU  77   4.726   1.237  -2.820
  567    HG   LEU  77           HG       LEU  77   6.866   2.317  -1.846
  568   1HD1  LEU  77          2HD1      LEU  77   6.526   0.640   0.209
  569   2HD1  LEU  77          1HD1      LEU  77   7.501  -0.414  -0.816
  570   3HD1  LEU  77          3HD1      LEU  77   8.131   1.153  -0.308
  571   1HD2  LEU  77          3HD2      LEU  77   6.941  -0.439  -3.118
  572   2HD2  LEU  77          2HD2      LEU  77   6.832   1.099  -3.975
  573   3HD2  LEU  77          1HD2      LEU  77   8.295   0.690  -3.080
  574    H    ILE  78           H        ILE  78   2.956   2.360  -2.863
  575    HA   ILE  78           HA       ILE  78   3.840   4.849  -3.861
  576    HB   ILE  78           HB       ILE  78   1.097   3.601  -4.164
  577   1HG1  ILE  78          2HG1      ILE  78   3.201   3.356  -6.257
  578   2HG1  ILE  78          1HG1      ILE  78   3.414   2.370  -4.809
  579   1HG2  ILE  78          1HG2      ILE  78   2.623   5.718  -5.691
  580   2HG2  ILE  78          3HG2      ILE  78   1.250   4.854  -6.385
  581   3HG2  ILE  78          2HG2      ILE  78   1.029   5.854  -4.949
  582   1HD1  ILE  78          3HD1      ILE  78   0.755   2.459  -6.223
  583   2HD1  ILE  78          2HD1      ILE  78   2.034   1.379  -6.778
  584   3HD1  ILE  78          1HD1      ILE  78   1.392   1.218  -5.144
  585    H    ASN  79           H        ASN  79   1.353   3.982  -1.565
  586    HA   ASN  79           HA       ASN  79  -0.026   6.384  -1.307
  587   1HB   ASN  79          2HB       ASN  79  -0.192   3.932  -0.128
  588   2HB   ASN  79          1HB       ASN  79   0.424   4.900   1.208
  589   1HD2  ASN  79          2HD2      ASN  79  -3.397   5.051   0.834
  590   2HD2  ASN  79          1HD2      ASN  79  -2.342   3.727   0.708
  591    H    GLY  80           H        GLY  80   2.558   5.201   0.862
  592   1HA   GLY  80          2HA       GLY  80   2.844   7.523   2.381
  593   2HA   GLY  80          1HA       GLY  80   4.107   6.321   2.149
  594    H    ALA  81           H        ALA  81   4.769   6.517  -0.455
  595    HA   ALA  81           HA       ALA  81   6.473   8.722  -0.574
  596   1HB   ALA  81          2HB       ALA  81   5.355   7.077  -2.850
  597   2HB   ALA  81          1HB       ALA  81   6.714   8.190  -2.983
  598   3HB   ALA  81          3HB       ALA  81   6.844   6.761  -1.958
  599    H    LEU  82           H        LEU  82   3.141   8.407  -1.571
  600    HA   LEU  82           HA       LEU  82   3.044  10.764  -3.192
  601   1HB   LEU  82          2HB       LEU  82   1.310   8.664  -2.661
  602   2HB   LEU  82          1HB       LEU  82   0.528  10.027  -1.869
  603    HG   LEU  82           HG       LEU  82  -0.233   9.846  -4.185
  604   1HD1  LEU  82          3HD1      LEU  82   0.401  12.120  -2.994
  605   2HD1  LEU  82          2HD1      LEU  82   1.624  12.195  -4.262
  606   3HD1  LEU  82          1HD1      LEU  82  -0.085  12.106  -4.689
  607   1HD2  LEU  82          2HD2      LEU  82   2.650   9.488  -4.660
  608   2HD2  LEU  82          1HD2      LEU  82   1.277   8.952  -5.626
  609   3HD2  LEU  82          3HD2      LEU  82   1.883  10.600  -5.792
  610    H    ALA  83           H        ALA  83   2.304  10.017   0.174
  611    HA   ALA  83           HA       ALA  83   1.263  12.505   0.958
  612   1HB   ALA  83          1HB       ALA  83   2.662  10.291   2.440
  613   2HB   ALA  83          3HB       ALA  83   2.199  11.779   3.265
  614   3HB   ALA  83          2HB       ALA  83   0.966  10.769   2.511
  615    H    GLU  84           H        GLU  84   4.565  11.359   0.605
  616    HA   GLU  84           HA       GLU  84   5.531  14.053   1.367
  617   1HB   GLU  84          2HB       GLU  84   7.056  11.439   1.491
  618   2HB   GLU  84          1HB       GLU  84   7.642  13.020   2.011
  619   1HG   GLU  84          2HG       GLU  84   5.404  12.958   3.467
  620   2HG   GLU  84          1HG       GLU  84   5.640  11.219   3.306
  621    H    ALA  85           H        ALA  85   4.560  13.457  -1.214
  622    HA   ALA  85           HA       ALA  85   6.893  13.012  -2.915
  623   1HB   ALA  85          2HB       ALA  85   3.946  13.227  -3.350
  624   2HB   ALA  85          1HB       ALA  85   5.018  13.609  -4.697
  625   3HB   ALA  85          3HB       ALA  85   5.082  12.016  -3.942
  626    H    ALA  86           HN       ALA  86   4.675  15.596  -1.993
  627    HA   ALA  86           HA       ALA  86   4.792  17.881  -2.229
  628   1HB   ALA  86          3HB       ALA  86   7.049  17.474  -1.181
  629   2HB   ALA  86          2HB       ALA  86   7.728  17.453  -2.809
  630   3HB   ALA  86          1HB       ALA  86   6.958  18.914  -2.193
   
  No H/Q in entry =         630
  Start of MODEL   14
    1   1H    MET   1          3H        MET   1 -10.088   9.495   6.278
    2   2H    MET   1          2H        MET   1 -11.675   9.790   5.746
    3   3H    MET   1          1H        MET   1 -10.758   8.545   5.043
    4    HA   MET   1           HA       MET   1 -10.673  10.261   3.483
    5   1HB   MET   1          2HB       MET   1 -11.475  11.906   5.373
    6   2HB   MET   1          1HB       MET   1  -9.750  12.233   5.551
    7   1HG   MET   1          2HG       MET   1  -9.558  12.937   3.268
    8   2HG   MET   1          1HG       MET   1 -11.172  12.341   2.882
    9   1HE   MET   1          1HE       MET   1 -12.941  13.346   2.758
   10   2HE   MET   1          3HE       MET   1 -13.522  13.656   4.400
   11   3HE   MET   1          2HE       MET   1 -13.421  14.973   3.235
   12    H    ALA   2           H        ALA   2  -8.836  10.385   2.299
   13    HA   ALA   2           HA       ALA   2  -6.232  10.528   3.628
   14   1HB   ALA   2          3HB       ALA   2  -7.095   8.194   1.911
   15   2HB   ALA   2          2HB       ALA   2  -5.413   8.554   2.296
   16   3HB   ALA   2          1HB       ALA   2  -6.544   8.144   3.585
   17    H    THR   3           H        THR   3  -4.731  11.555   2.426
   18    HA   THR   3           HA       THR   3  -5.562  12.478  -0.245
   19    HB   THR   3           HB       THR   3  -3.111  13.574   1.025
   20    HG1  THR   3           HG1      THR   3  -4.427  13.493   2.808
   21   1HG2  THR   3          2HG2      THR   3  -4.086  14.374  -1.137
   22   2HG2  THR   3          1HG2      THR   3  -5.530  14.875  -0.258
   23   3HG2  THR   3          3HG2      THR   3  -3.978  15.641   0.085
   24    H    LEU   4           H        LEU   4  -4.453   9.786   0.321
   25    HA   LEU   4           HA       LEU   4  -2.069   9.947  -1.422
   26   1HB   LEU   4          2HB       LEU   4  -2.566   7.864   0.731
   27   2HB   LEU   4          1HB       LEU   4  -1.132   8.011  -0.276
   28    HG   LEU   4           HG       LEU   4  -0.531   8.954   1.819
   29   1HD1  LEU   4          3HD1      LEU   4  -0.402  10.464  -0.452
   30   2HD1  LEU   4          2HD1      LEU   4  -1.240  11.566   0.640
   31   3HD1  LEU   4          1HD1      LEU   4   0.338  10.917   1.083
   32   1HD2  LEU   4          1HD2      LEU   4  -3.195   9.341   2.221
   33   2HD2  LEU   4          3HD2      LEU   4  -1.936  10.039   3.240
   34   3HD2  LEU   4          2HD2      LEU   4  -2.661  11.000   1.953
   35    H    LEU   5           H        LEU   5  -2.104   6.890  -1.529
   36    HA   LEU   5           HA       LEU   5  -4.127   6.728  -3.623
   37   1HB   LEU   5          2HB       LEU   5  -1.640   5.315  -2.994
   38   2HB   LEU   5          1HB       LEU   5  -2.938   4.212  -3.431
   39    HG   LEU   5           HG       LEU   5  -1.883   6.530  -5.084
   40   1HD1  LEU   5          1HD1      LEU   5  -1.565   3.577  -5.059
   41   2HD1  LEU   5          3HD1      LEU   5  -1.793   4.310  -6.647
   42   3HD1  LEU   5          2HD1      LEU   5  -0.454   4.825  -5.622
   43   1HD2  LEU   5          1HD2      LEU   5  -4.330   4.785  -5.424
   44   2HD2  LEU   5          3HD2      LEU   5  -4.206   6.538  -5.576
   45   3HD2  LEU   5          2HD2      LEU   5  -3.518   5.494  -6.817
   46    H    THR   6           H        THR   6  -4.988   4.227  -3.663
   47    HA   THR   6           HA       THR   6  -6.160   3.713  -1.004
   48    HB   THR   6           HB       THR   6  -7.783   3.283  -3.485
   49    HG1  THR   6           HG1      THR   6  -8.050   5.337  -3.741
   50   1HG2  THR   6          1HG2      THR   6  -8.282   3.772  -0.551
   51   2HG2  THR   6          3HG2      THR   6  -9.568   3.941  -1.746
   52   3HG2  THR   6          2HG2      THR   6  -8.766   2.386  -1.529
   53    H    THR   7           H        THR   7  -6.785   1.583  -0.591
   54    HA   THR   7           HA       THR   7  -5.080  -0.439  -1.576
   55    HB   THR   7           HB       THR   7  -7.761  -0.817  -0.223
   56    HG1  THR   7           HG1      THR   7  -6.342  -0.904   1.669
   57   1HG2  THR   7          1HG2      THR   7  -6.382  -2.743  -1.335
   58   2HG2  THR   7          3HG2      THR   7  -5.334  -2.554   0.069
   59   3HG2  THR   7          2HG2      THR   7  -7.035  -2.969   0.287
   60    H    ASP   8           H        ASP   8  -8.368   0.515  -2.367
   61    HA   ASP   8           HA       ASP   8  -9.025  -1.599  -4.114
   62   1HB   ASP   8          2HB       ASP   8 -10.499   0.375  -3.204
   63   2HB   ASP   8          1HB       ASP   8  -9.944   1.208  -4.656
   64    H    ASP   9           H        ASP   9  -7.154   1.339  -4.523
   65    HA   ASP   9           HA       ASP   9  -6.963   1.384  -7.336
   66   1HB   ASP   9          2HB       ASP   9  -5.986   2.989  -5.328
   67   2HB   ASP   9          1HB       ASP   9  -4.520   2.186  -5.876
   68    H    LEU  10           H        LEU  10  -4.929  -0.145  -4.844
   69    HA   LEU  10           HA       LEU  10  -3.019  -1.240  -6.606
   70   1HB   LEU  10          2HB       LEU  10  -2.120  -2.277  -4.766
   71   2HB   LEU  10          1HB       LEU  10  -3.144  -1.124  -3.931
   72    HG   LEU  10           HG       LEU  10  -4.915  -3.138  -4.167
   73   1HD1  LEU  10          1HD1      LEU  10  -2.762  -4.346  -5.275
   74   2HD1  LEU  10          3HD1      LEU  10  -2.516  -4.783  -3.585
   75   3HD1  LEU  10          2HD1      LEU  10  -4.015  -5.227  -4.402
   76   1HD2  LEU  10          2HD2      LEU  10  -3.730  -1.958  -2.106
   77   2HD2  LEU  10          1HD2      LEU  10  -4.618  -3.470  -1.898
   78   3HD2  LEU  10          3HD2      LEU  10  -2.858  -3.488  -2.029
   79    H    ARG  11           H        ARG  11  -6.189  -2.329  -5.625
   80    HA   ARG  11           HA       ARG  11  -6.083  -4.986  -6.550
   81   1HB   ARG  11          2HB       ARG  11  -7.964  -3.469  -5.286
   82   2HB   ARG  11          1HB       ARG  11  -8.664  -3.590  -6.899
   83   1HG   ARG  11          2HG       ARG  11  -7.562  -6.070  -5.630
   84   2HG   ARG  11          1HG       ARG  11  -9.127  -5.466  -5.081
   85   1HD   ARG  11          2HD       ARG  11  -9.734  -5.335  -7.589
   86   2HD   ARG  11          1HD       ARG  11  -8.329  -6.364  -7.847
   87    HE   ARG  11           HE       ARG  11  -9.808  -7.619  -5.873
   88   1HH1  ARG  11          2HH1      ARG  11 -11.938  -6.226  -7.740
   89   2HH1  ARG  11          1HH1      ARG  11 -12.385  -7.575  -8.729
   90   1HH2  ARG  11          1HH2      ARG  11  -9.684  -9.521  -7.754
   91   2HH2  ARG  11          2HH2      ARG  11 -11.108  -9.442  -8.736
   92    H    ARG  12           H        ARG  12  -7.284  -2.057  -8.195
   93    HA   ARG  12           HA       ARG  12  -7.952  -3.286 -10.632
   94   1HB   ARG  12          2HB       ARG  12  -8.451  -0.880  -9.794
   95   2HB   ARG  12          1HB       ARG  12  -6.888  -0.478 -10.509
   96   1HG   ARG  12          2HG       ARG  12  -7.722  -1.619 -12.637
   97   2HG   ARG  12          1HG       ARG  12  -9.323  -1.614 -11.897
   98   1HD   ARG  12          2HD       ARG  12  -9.481   0.712 -11.932
   99   2HD   ARG  12          1HD       ARG  12  -7.735   0.930 -11.984
  100    HE   ARG  12           HE       ARG  12  -9.424   0.142 -14.282
  101   1HH1  ARG  12          2HH1      ARG  12  -6.568  -0.764 -14.519
  102   2HH1  ARG  12          1HH1      ARG  12  -5.820   0.572 -15.327
  103   1HH2  ARG  12          1HH2      ARG  12  -8.406   2.778 -14.642
  104   2HH2  ARG  12          2HH2      ARG  12  -6.859   2.578 -15.397
  105    H    ALA  13           H        ALA  13  -4.894  -2.063  -9.411
  106    HA   ALA  13           HA       ALA  13  -3.480  -2.144 -11.883
  107   1HB   ALA  13          2HB       ALA  13  -2.581  -2.162  -9.003
  108   2HB   ALA  13          1HB       ALA  13  -1.442  -2.218 -10.348
  109   3HB   ALA  13          3HB       ALA  13  -2.515  -0.830 -10.157
  110    H    LEU  14           H        LEU  14  -4.220  -4.528  -9.430
  111    HA   LEU  14           HA       LEU  14  -2.333  -6.466 -10.494
  112   1HB   LEU  14          2HB       LEU  14  -4.272  -6.409  -8.217
  113   2HB   LEU  14          1HB       LEU  14  -3.703  -7.967  -8.819
  114    HG   LEU  14           HG       LEU  14  -1.630  -5.876  -8.397
  115   1HD1  LEU  14          2HD1      LEU  14  -3.366  -5.927  -6.405
  116   2HD1  LEU  14          1HD1      LEU  14  -2.545  -7.435  -6.001
  117   3HD1  LEU  14          3HD1      LEU  14  -1.634  -5.927  -6.069
  118   1HD2  LEU  14          2HD2      LEU  14  -1.408  -8.373  -9.148
  119   2HD2  LEU  14          1HD2      LEU  14  -0.264  -7.737  -7.965
  120   3HD2  LEU  14          3HD2      LEU  14  -1.622  -8.730  -7.435
  121    H    VAL  15           H        VAL  15  -5.646  -5.591 -11.009
  122    HA   VAL  15           HA       VAL  15  -6.348  -8.173 -12.158
  123    HB   VAL  15           HB       VAL  15  -7.959  -5.614 -12.188
  124   1HG1  VAL  15          2HG1      VAL  15  -8.417  -8.460 -12.950
  125   2HG1  VAL  15          1HG1      VAL  15  -9.749  -7.617 -12.158
  126   3HG1  VAL  15          3HG1      VAL  15  -9.074  -6.987 -13.660
  127   1HG2  VAL  15          3HG2      VAL  15  -7.259  -7.373  -9.982
  128   2HG2  VAL  15          2HG2      VAL  15  -8.201  -5.884  -9.958
  129   3HG2  VAL  15          1HG2      VAL  15  -8.997  -7.423 -10.280
  130    H    GLU  16           H        GLU  16  -5.122  -5.104 -13.216
  131    HA   GLU  16           HA       GLU  16  -6.017  -5.148 -15.900
  132   1HB   GLU  16          2HB       GLU  16  -4.810  -3.262 -14.528
  133   2HB   GLU  16          1HB       GLU  16  -3.344  -4.012 -15.160
  134   1HG   GLU  16          2HG       GLU  16  -5.604  -3.419 -17.043
  135   2HG   GLU  16          1HG       GLU  16  -4.542  -2.105 -16.535
  136    H    CYS  17           H        CYS  17  -3.318  -6.671 -14.249
  137    HA   CYS  17           HA       CYS  17  -2.174  -7.639 -16.760
  138   1HB   CYS  17          2HB       CYS  17  -1.302  -7.598 -13.907
  139   2HB   CYS  17          1HB       CYS  17  -0.630  -8.835 -14.970
  140    HG   CYS  17           HG       CYS  17   0.575  -7.076 -16.308
  141    H    ALA  18           H        ALA  18  -4.858  -8.589 -15.622
  142    HA   ALA  18           HA       ALA  18  -4.344 -11.416 -16.105
  143   1HB   ALA  18          3HB       ALA  18  -5.376 -10.334 -13.497
  144   2HB   ALA  18          2HB       ALA  18  -5.868 -11.931 -14.063
  145   3HB   ALA  18          1HB       ALA  18  -4.163 -11.584 -13.779
  146    H    GLY  19           H        GLY  19  -7.084  -9.685 -14.635
  147   1HA   GLY  19          2HA       GLY  19  -9.264  -9.409 -15.327
  148   2HA   GLY  19          1HA       GLY  19  -8.628  -9.380 -16.969
  149    H    GLU  20           H        GLU  20  -9.358 -11.666 -14.334
  150    HA   GLU  20           HA       GLU  20 -10.553 -13.474 -16.328
  151   1HB   GLU  20          2HB       GLU  20  -9.469 -15.415 -15.212
  152   2HB   GLU  20          1HB       GLU  20  -8.317 -14.336 -15.998
  153   1HG   GLU  20          2HG       GLU  20  -7.500 -13.511 -13.989
  154   2HG   GLU  20          1HG       GLU  20  -8.995 -13.859 -13.119
  155    H    THR  21           H        THR  21 -11.454 -11.639 -14.055
  156    HA   THR  21           HA       THR  21 -13.663 -13.105 -13.182
  157    HB   THR  21           HB       THR  21 -12.242 -14.489 -11.836
  158    HG1  THR  21           HG1      THR  21 -13.195 -12.475 -10.096
  159   1HG2  THR  21          1HG2      THR  21 -10.568 -12.232 -11.759
  160   2HG2  THR  21          3HG2      THR  21 -11.077 -12.487 -10.091
  161   3HG2  THR  21          2HG2      THR  21 -10.281 -13.786 -10.978
  162    H    ASP  22           H        ASP  22 -15.073 -11.538 -12.883
  163    HA   ASP  22           HA       ASP  22 -14.132  -8.976 -11.752
  164   1HB   ASP  22          2HB       ASP  22 -16.221  -8.034 -12.770
  165   2HB   ASP  22          1HB       ASP  22 -15.086  -8.686 -13.952
  166    H    GLY  23           H        GLY  23 -14.926 -11.444 -10.246
  167   1HA   GLY  23          2HA       GLY  23 -17.054 -10.177  -8.629
  168   2HA   GLY  23          1HA       GLY  23 -17.128 -11.888  -9.023
  169    H    THR  24           H        THR  24 -13.900 -11.023  -8.597
  170    HA   THR  24           HA       THR  24 -12.367 -11.385  -6.936
  171    HB   THR  24           HB       THR  24 -14.425 -11.166  -4.794
  172    HG1  THR  24           HG1      THR  24 -15.190  -9.538  -5.959
  173   1HG2  THR  24          1HG2      THR  24 -11.592 -10.314  -5.300
  174   2HG2  THR  24          3HG2      THR  24 -12.541  -9.500  -4.058
  175   3HG2  THR  24          2HG2      THR  24 -12.251 -11.235  -3.949
  176    H    ASP  25           H        ASP  25 -11.514 -13.220  -6.212
  177    HA   ASP  25           HA       ASP  25 -13.239 -15.300  -5.077
  178   1HB   ASP  25          2HB       ASP  25 -12.202 -17.030  -6.551
  179   2HB   ASP  25          1HB       ASP  25 -13.231 -15.894  -7.424
  180    H    LEU  26           H        LEU  26 -12.029 -14.537  -3.194
  181    HA   LEU  26           HA       LEU  26  -9.436 -15.907  -2.985
  182   1HB   LEU  26          2HB       LEU  26 -10.082 -13.206  -1.756
  183   2HB   LEU  26          1HB       LEU  26  -8.543 -14.064  -1.665
  184    HG   LEU  26           HG       LEU  26  -9.764 -13.339  -4.325
  185   1HD1  LEU  26          2HD1      LEU  26  -9.426 -11.331  -2.737
  186   2HD1  LEU  26          1HD1      LEU  26  -7.701 -11.657  -2.901
  187   3HD1  LEU  26          3HD1      LEU  26  -8.661 -11.245  -4.324
  188   1HD2  LEU  26          1HD2      LEU  26  -7.855 -15.017  -4.051
  189   2HD2  LEU  26          3HD2      LEU  26  -7.531 -13.661  -5.131
  190   3HD2  LEU  26          2HD2      LEU  26  -6.870 -13.664  -3.496
  191    H    SER  27           H        SER  27  -9.192 -15.127  -0.176
  192    HA   SER  27           HA       SER  27 -11.390 -16.741   0.941
  193   1HB   SER  27          2HB       SER  27  -8.487 -16.580   1.702
  194   2HB   SER  27          1HB       SER  27  -9.702 -17.228   2.801
  195    HG   SER  27           HG       SER  27  -8.540 -18.371   0.653
  196    H    GLY  28           H        GLY  28  -8.956 -14.749   2.511
  197   1HA   GLY  28          2HA       GLY  28 -10.894 -13.594   4.300
  198   2HA   GLY  28          1HA       GLY  28  -9.180 -13.189   4.220
  199    H    ASP  29           H        ASP  29  -9.008 -11.053   3.911
  200    HA   ASP  29           HA       ASP  29 -10.957  -9.416   2.688
  201   1HB   ASP  29          2HB       ASP  29  -8.039  -9.026   3.321
  202   2HB   ASP  29          1HB       ASP  29  -8.950  -7.793   2.449
  203    H    PHE  30           H        PHE  30  -7.670  -9.776   1.378
  204    HA   PHE  30           HA       PHE  30  -8.315 -10.993  -1.033
  205   1HB   PHE  30          2HB       PHE  30  -9.023  -9.424  -2.509
  206   2HB   PHE  30          1HB       PHE  30  -9.517  -8.547  -1.076
  207    HD1  PHE  30           HD1      PHE  30  -6.880  -8.877  -3.649
  208    HD2  PHE  30           HD2      PHE  30  -8.431  -6.481  -0.445
  209    HE1  PHE  30           HE1      PHE  30  -5.410  -7.012  -4.332
  210    HE2  PHE  30           HE2      PHE  30  -6.967  -4.624  -1.129
  211    HZ   PHE  30           HZ       PHE  30  -5.452  -4.878  -3.064
  212    H    LEU  31           H        LEU  31  -6.284  -8.658   0.636
  213    HA   LEU  31           HA       LEU  31  -4.005  -8.937  -1.067
  214   1HB   LEU  31          2HB       LEU  31  -4.242  -7.969   1.793
  215   2HB   LEU  31          1HB       LEU  31  -2.805  -7.803   0.776
  216    HG   LEU  31           HG       LEU  31  -5.506  -6.826  -0.130
  217   1HD1  LEU  31          1HD1      LEU  31  -3.641  -5.615   1.835
  218   2HD1  LEU  31          3HD1      LEU  31  -4.261  -4.539   0.581
  219   3HD1  LEU  31          2HD1      LEU  31  -5.380  -5.394   1.643
  220   1HD2  LEU  31          3HD2      LEU  31  -2.636  -6.236  -0.877
  221   2HD2  LEU  31          2HD2      LEU  31  -3.857  -7.026  -1.872
  222   3HD2  LEU  31          1HD2      LEU  31  -4.005  -5.314  -1.484
  223    H    ASP  32           H        ASP  32  -3.641  -9.707   2.369
  224    HA   ASP  32           HA       ASP  32  -2.384 -11.383   3.350
  225   1HB   ASP  32          2HB       ASP  32  -4.661 -12.677   1.901
  226   2HB   ASP  32          1HB       ASP  32  -3.497 -13.681   2.765
  227    H    LEU  33           H        LEU  33  -0.801 -10.569   1.325
  228    HA   LEU  33           HA       LEU  33   0.955 -11.230  -0.013
  229   1HB   LEU  33          2HB       LEU  33   1.428 -12.690   1.950
  230   2HB   LEU  33          1HB       LEU  33   0.444 -13.953   1.214
  231    HG   LEU  33           HG       LEU  33   2.334 -13.006  -0.745
  232   1HD1  LEU  33          1HD1      LEU  33   3.421 -12.563   1.713
  233   2HD1  LEU  33          3HD1      LEU  33   3.899 -14.240   1.447
  234   3HD1  LEU  33          2HD1      LEU  33   4.367 -12.996   0.288
  235   1HD2  LEU  33          2HD2      LEU  33   1.533 -15.533   0.599
  236   2HD2  LEU  33          1HD2      LEU  33   1.734 -15.189  -1.119
  237   3HD2  LEU  33          3HD2      LEU  33   3.145 -15.523  -0.116
  238    H    ARG  34           H        ARG  34  -1.321 -10.980  -1.381
  239    HA   ARG  34           HA       ARG  34  -2.176 -13.296  -2.793
  240   1HB   ARG  34          2HB       ARG  34  -3.445 -11.098  -2.535
  241   2HB   ARG  34          1HB       ARG  34  -2.375 -10.447  -3.770
  242   1HG   ARG  34          2HG       ARG  34  -4.559 -11.287  -4.673
  243   2HG   ARG  34          1HG       ARG  34  -3.148 -12.043  -5.400
  244   1HD   ARG  34          2HD       ARG  34  -5.133 -13.566  -4.691
  245   2HD   ARG  34          1HD       ARG  34  -3.502 -14.080  -4.284
  246    HE   ARG  34           HE       ARG  34  -4.759 -12.545  -2.187
  247   1HH1  ARG  34          2HH1      ARG  34  -3.076 -15.317  -2.680
  248   2HH1  ARG  34          1HH1      ARG  34  -4.032 -16.344  -1.666
  249   1HH2  ARG  34          1HH2      ARG  34  -6.586 -14.030  -1.275
  250   2HH2  ARG  34          2HH2      ARG  34  -6.019 -15.616  -0.870
  251    H    PHE  35           H        PHE  35   0.493 -11.096  -3.216
  252    HA   PHE  35           HA       PHE  35   1.012 -11.412  -5.955
  253   1HB   PHE  35          2HB       PHE  35   2.616 -10.653  -3.575
  254   2HB   PHE  35          1HB       PHE  35   3.525 -11.214  -4.977
  255    HD1  PHE  35           HD1      PHE  35   0.380  -9.193  -4.588
  256    HD2  PHE  35           HD2      PHE  35   4.368  -9.395  -6.189
  257    HE1  PHE  35           HE1      PHE  35   0.065  -6.982  -5.669
  258    HE2  PHE  35           HE2      PHE  35   4.042  -7.191  -7.261
  259    HZ   PHE  35           HZ       PHE  35   1.904  -5.984  -6.999
  260    H    GLU  36           H        GLU  36   2.476 -13.200  -3.229
  261    HA   GLU  36           HA       GLU  36   3.492 -15.221  -5.065
  262   1HB   GLU  36          2HB       GLU  36   3.729 -14.845  -2.076
  263   2HB   GLU  36          1HB       GLU  36   4.374 -16.254  -2.920
  264   1HG   GLU  36          2HG       GLU  36   5.074 -13.389  -3.622
  265   2HG   GLU  36          1HG       GLU  36   6.066 -14.428  -2.597
  266    H    ASP  37           H        ASP  37   1.222 -15.734  -5.712
  267    HA   ASP  37           HA       ASP  37   0.160 -17.870  -3.973
  268   1HB   ASP  37          2HB       ASP  37  -1.271 -15.792  -3.868
  269   2HB   ASP  37          1HB       ASP  37  -1.569 -15.991  -5.596
  270    H    ILE  38           H        ILE  38   0.110 -16.423  -7.216
  271    HA   ILE  38           HA       ILE  38  -0.508 -19.018  -8.414
  272    HB   ILE  38           HB       ILE  38  -0.742 -17.792 -10.505
  273   1HG1  ILE  38          2HG1      ILE  38   0.043 -15.286  -8.987
  274   2HG1  ILE  38          1HG1      ILE  38   1.177 -16.177 -10.001
  275   1HG2  ILE  38          1HG2      ILE  38  -2.432 -17.634  -8.453
  276   2HG2  ILE  38          3HG2      ILE  38  -1.988 -15.928  -8.527
  277   3HG2  ILE  38          2HG2      ILE  38  -2.709 -16.713  -9.933
  278   1HD1  ILE  38          1HD1      ILE  38  -0.472 -15.944 -11.901
  279   2HD1  ILE  38          3HD1      ILE  38  -1.407 -14.860 -10.871
  280   3HD1  ILE  38          2HD1      ILE  38   0.230 -14.421 -11.356
  281    H    GLY  39           H        GLY  39   2.138 -16.777  -8.020
  282   1HA   GLY  39          2HA       GLY  39   4.360 -18.008  -8.027
  283   2HA   GLY  39          1HA       GLY  39   3.889 -18.517  -9.647
  284    H    TYR  40           H        TYR  40   3.541 -15.380  -8.008
  285    HA   TYR  40           HA       TYR  40   4.270 -13.873 -10.291
  286   1HB   TYR  40          2HB       TYR  40   3.830 -13.273  -7.402
  287   2HB   TYR  40          1HB       TYR  40   4.713 -12.087  -8.361
  288    HD1  TYR  40           HD2      TYR  40   1.587 -14.176  -8.451
  289    HD2  TYR  40           HD1      TYR  40   3.546 -10.546  -9.667
  290    HE1  TYR  40           HE2      TYR  40  -0.536 -13.353  -9.431
  291    HE2  TYR  40           HE1      TYR  40   1.419  -9.729 -10.646
  292    HH   TYR  40           HH       TYR  40  -1.588 -11.254 -10.038
  293    H    ASP  41           H        ASP  41   6.153 -12.692 -10.730
  294    HA   ASP  41           HA       ASP  41   8.575 -13.772  -9.420
  295   1HB   ASP  41          2HB       ASP  41   9.617 -12.722 -11.667
  296   2HB   ASP  41          1HB       ASP  41   9.039 -14.381 -11.574
  297    H    SER  42           H        SER  42   8.134 -10.900 -11.473
  298    HA   SER  42           HA       SER  42   8.103  -8.904  -9.554
  299   1HB   SER  42          2HB       SER  42  10.563  -8.198  -9.649
  300   2HB   SER  42          1HB       SER  42  10.181  -9.572  -8.615
  301    HG   SER  42           HG       SER  42  11.618 -10.564  -9.784
  302    H    LEU  43           H        LEU  43   9.482  -9.978 -12.607
  303    HA   LEU  43           HA       LEU  43   9.821  -7.423 -13.784
  304   1HB   LEU  43          2HB       LEU  43  10.332 -10.058 -14.533
  305   2HB   LEU  43          1HB       LEU  43   9.119  -9.524 -15.693
  306    HG   LEU  43           HG       LEU  43  11.377  -9.034 -16.527
  307   1HD1  LEU  43          1HD1      LEU  43   9.415  -7.451 -16.915
  308   2HD1  LEU  43          3HD1      LEU  43  10.106  -6.432 -15.653
  309   3HD1  LEU  43          2HD1      LEU  43  11.019  -6.750 -17.127
  310   1HD2  LEU  43          3HD2      LEU  43  11.709  -8.049 -13.772
  311   2HD2  LEU  43          2HD2      LEU  43  12.922  -8.612 -14.918
  312   3HD2  LEU  43          1HD2      LEU  43  12.346  -6.948 -14.994
  313    H    ALA  44           H        ALA  44   7.036  -9.495 -13.379
  314    HA   ALA  44           HA       ALA  44   5.407  -8.189 -15.353
  315   1HB   ALA  44          3HB       ALA  44   4.948 -10.497 -14.649
  316   2HB   ALA  44          2HB       ALA  44   4.602  -9.932 -13.013
  317   3HB   ALA  44          1HB       ALA  44   3.555  -9.456 -14.351
  318    H    LEU  45           H        LEU  45   5.035  -8.325 -11.804
  319    HA   LEU  45           HA       LEU  45   3.201  -6.227 -11.604
  320   1HB   LEU  45          2HB       LEU  45   3.974  -6.065  -9.208
  321   2HB   LEU  45          1HB       LEU  45   3.479  -7.673  -9.730
  322    HG   LEU  45           HG       LEU  45   6.217  -7.542 -10.357
  323   1HD1  LEU  45          3HD1      LEU  45   5.537  -6.029  -7.867
  324   2HD1  LEU  45          2HD1      LEU  45   6.962  -7.067  -7.855
  325   3HD1  LEU  45          1HD1      LEU  45   6.839  -5.750  -9.024
  326   1HD2  LEU  45          3HD2      LEU  45   4.448  -8.932  -8.427
  327   2HD2  LEU  45          2HD2      LEU  45   5.638  -9.599  -9.542
  328   3HD2  LEU  45          1HD2      LEU  45   6.159  -8.923  -8.000
  329    H    MET  46           H        MET  46   6.640  -6.111 -12.069
  330    HA   MET  46           HA       MET  46   6.995  -3.422 -11.111
  331   1HB   MET  46          2HB       MET  46   8.854  -5.092 -11.248
  332   2HB   MET  46          1HB       MET  46   8.768  -4.980 -13.006
  333   1HG   MET  46          2HG       MET  46  10.388  -3.381 -12.606
  334   2HG   MET  46          1HG       MET  46   8.950  -2.368 -12.480
  335   1HE   MET  46          2HE       MET  46   8.485  -1.003 -10.998
  336   2HE   MET  46          1HE       MET  46   7.739  -1.985  -9.740
  337   3HE   MET  46          3HE       MET  46   9.011  -0.828  -9.325
  338    H    GLU  47           H        GLU  47   6.397  -4.943 -14.242
  339    HA   GLU  47           HA       GLU  47   6.825  -2.683 -15.875
  340   1HB   GLU  47          2HB       GLU  47   6.341  -5.214 -16.474
  341   2HB   GLU  47          1HB       GLU  47   4.675  -4.644 -16.564
  342   1HG   GLU  47          2HG       GLU  47   5.236  -3.005 -18.229
  343   2HG   GLU  47          1HG       GLU  47   6.963  -3.281 -18.003
  344    H    THR  48           H        THR  48   3.854  -3.944 -14.380
  345    HA   THR  48           HA       THR  48   2.089  -1.982 -15.363
  346    HB   THR  48           HB       THR  48   1.824  -3.311 -12.666
  347    HG1  THR  48           HG1      THR  48   1.247  -5.121 -13.665
  348   1HG2  THR  48          1HG2      THR  48  -0.091  -2.251 -14.752
  349   2HG2  THR  48          3HG2      THR  48  -0.605  -3.287 -13.421
  350   3HG2  THR  48          2HG2      THR  48   0.102  -1.706 -13.086
  351    H    ALA  49           H        ALA  49   3.733  -2.188 -12.205
  352    HA   ALA  49           HA       ALA  49   2.855   0.267 -11.174
  353   1HB   ALA  49          1HB       ALA  49   5.425  -1.242 -10.657
  354   2HB   ALA  49          3HB       ALA  49   4.871   0.136  -9.705
  355   3HB   ALA  49          2HB       ALA  49   3.926  -1.353  -9.733
  356    H    ALA  50           H        ALA  50   5.236  -0.424 -13.603
  357    HA   ALA  50           HA       ALA  50   6.731   2.003 -13.360
  358   1HB   ALA  50          1HB       ALA  50   7.619  -0.020 -14.490
  359   2HB   ALA  50          3HB       ALA  50   6.421   0.194 -15.768
  360   3HB   ALA  50          2HB       ALA  50   7.679   1.406 -15.525
  361    H    ARG  51           H        ARG  51   4.182   0.920 -15.608
  362    HA   ARG  51           HA       ARG  51   3.989   3.286 -17.106
  363   1HB   ARG  51          2HB       ARG  51   2.114   1.019 -16.546
  364   2HB   ARG  51          1HB       ARG  51   1.512   2.451 -17.381
  365   1HG   ARG  51          2HG       ARG  51   4.025   1.018 -18.260
  366   2HG   ARG  51          1HG       ARG  51   2.429   0.573 -18.868
  367   1HD   ARG  51          2HD       ARG  51   2.182   2.526 -20.060
  368   2HD   ARG  51          1HD       ARG  51   3.157   3.463 -18.932
  369    HE   ARG  51           HE       ARG  51   4.460   1.495 -20.710
  370   1HH1  ARG  51          1HH2      ARG  51   5.749   3.646 -18.836
  371   2HH1  ARG  51          2HH2      ARG  51   6.306   4.785 -20.017
  372   1HH2  ARG  51          2HH1      ARG  51   4.405   3.446 -22.590
  373   2HH2  ARG  51          1HH1      ARG  51   5.545   4.672 -22.142
  374    H    LEU  52           H        LEU  52   2.360   2.303 -14.119
  375    HA   LEU  52           HA       LEU  52   0.737   4.679 -13.980
  376   1HB   LEU  52          2HB       LEU  52   1.275   2.363 -12.156
  377   2HB   LEU  52          1HB       LEU  52   0.501   3.813 -11.515
  378    HG   LEU  52           HG       LEU  52  -0.564   2.766 -14.089
  379   1HD1  LEU  52          3HD1      LEU  52  -0.222   0.705 -12.757
  380   2HD1  LEU  52          2HD1      LEU  52  -1.114   1.430 -11.420
  381   3HD1  LEU  52          1HD1      LEU  52  -1.936   1.078 -12.939
  382   1HD2  LEU  52          3HD2      LEU  52  -1.302   4.751 -12.418
  383   2HD2  LEU  52          2HD2      LEU  52  -2.465   3.868 -13.407
  384   3HD2  LEU  52          1HD2      LEU  52  -2.237   3.431 -11.714
  385    H    GLU  53           H        GLU  53   3.967   3.852 -13.048
  386    HA   GLU  53           HA       GLU  53   4.420   5.514 -10.863
  387   1HB   GLU  53          2HB       GLU  53   6.015   3.844 -12.016
  388   2HB   GLU  53          1HB       GLU  53   6.446   5.195 -13.064
  389   1HG   GLU  53          2HG       GLU  53   6.403   5.842 -10.179
  390   2HG   GLU  53          1HG       GLU  53   7.636   4.674 -10.651
  391    H    SER  54           H        SER  54   3.872   6.365 -14.187
  392    HA   SER  54           HA       SER  54   5.097   8.945 -14.123
  393   1HB   SER  54          2HB       SER  54   2.786   8.193 -15.900
  394   2HB   SER  54          1HB       SER  54   4.104   9.314 -16.229
  395    HG   SER  54           HG       SER  54   4.005   6.822 -16.906
  396    H    ARG  55           H        ARG  55   1.791   7.772 -13.607
  397    HA   ARG  55           HA       ARG  55   0.523  10.263 -13.344
  398   1HB   ARG  55          2HB       ARG  55  -0.697   8.128 -13.576
  399   2HB   ARG  55          1HB       ARG  55  -0.184   7.663 -11.956
  400   1HG   ARG  55          2HG       ARG  55  -1.556   9.236 -10.922
  401   2HG   ARG  55          1HG       ARG  55  -1.584  10.291 -12.337
  402   1HD   ARG  55          2HD       ARG  55  -3.095   8.863 -13.497
  403   2HD   ARG  55          1HD       ARG  55  -2.843   7.546 -12.358
  404    HE   ARG  55           HE       ARG  55  -4.264   8.655 -10.817
  405   1HH1  ARG  55          1HH2      ARG  55  -3.406  11.501 -11.546
  406   2HH1  ARG  55          2HH2      ARG  55  -4.862  12.129 -12.244
  407   1HH2  ARG  55          2HH1      ARG  55  -6.311   9.008 -12.677
  408   2HH2  ARG  55          1HH1      ARG  55  -6.508  10.716 -12.885
  409    H    TYR  56           H        TYR  56   1.172   8.084 -10.598
  410    HA   TYR  56           HA       TYR  56   0.925  10.070  -8.631
  411   1HB   TYR  56          2HB       TYR  56   2.644   7.601  -8.349
  412   2HB   TYR  56          1HB       TYR  56   1.801   8.484  -7.077
  413    HD1  TYR  56           HD1      TYR  56  -0.833   8.738  -7.472
  414    HD2  TYR  56           HD2      TYR  56   1.639   5.681  -9.206
  415    HE1  TYR  56           HE1      TYR  56  -2.835   7.318  -7.826
  416    HE2  TYR  56           HE2      TYR  56  -0.364   4.262  -9.558
  417    HH   TYR  56           HH       TYR  56  -2.600   3.998  -8.729
  418    H    GLY  57           H        GLY  57   3.609   9.225 -10.680
  419   1HA   GLY  57          2HA       GLY  57   5.690  10.178 -10.945
  420   2HA   GLY  57          1HA       GLY  57   5.063  11.564 -10.061
  421    H    VAL  58           H        VAL  58   5.078   8.353  -8.681
  422    HA   VAL  58           HA       VAL  58   6.776   9.278  -6.514
  423    HB   VAL  58           HB       VAL  58   4.741   7.986  -6.019
  424   1HG1  VAL  58          2HG1      VAL  58   5.465   6.466  -8.227
  425   2HG1  VAL  58          1HG1      VAL  58   5.801   5.390  -6.873
  426   3HG1  VAL  58          3HG1      VAL  58   4.187   6.069  -7.080
  427   1HG2  VAL  58          3HG2      VAL  58   6.928   7.822  -4.650
  428   2HG2  VAL  58          2HG2      VAL  58   5.692   6.595  -4.371
  429   3HG2  VAL  58          1HG2      VAL  58   7.095   6.221  -5.372
  430    H    SER  59           H        SER  59   8.579   7.957  -5.757
  431    HA   SER  59           HA       SER  59  10.500   7.481  -7.756
  432   1HB   SER  59          2HB       SER  59  10.385   6.550  -4.882
  433   2HB   SER  59          1HB       SER  59  11.789   6.337  -5.924
  434    HG   SER  59           HG       SER  59  11.365   8.381  -4.487
  435    H    ILE  60           H        ILE  60  11.666   5.352  -8.021
  436    HA   ILE  60           HA       ILE  60   9.774   3.087  -8.021
  437    HB   ILE  60           HB       ILE  60   9.818   4.040 -10.278
  438   1HG1  ILE  60          2HG1      ILE  60  11.501   1.584 -10.559
  439   2HG1  ILE  60          1HG1      ILE  60   9.975   1.442  -9.685
  440   1HG2  ILE  60          2HG2      ILE  60  12.376   4.752  -9.786
  441   2HG2  ILE  60          1HG2      ILE  60  12.653   3.283 -10.721
  442   3HG2  ILE  60          3HG2      ILE  60  11.717   4.606 -11.415
  443   1HD1  ILE  60          3HD1      ILE  60   8.896   2.644 -11.672
  444   2HD1  ILE  60          2HD1      ILE  60  10.405   2.354 -12.535
  445   3HD1  ILE  60          1HD1      ILE  60   9.441   0.992 -11.965
  446    HA   PRO  61           HA       PRO  61  13.720   1.659  -6.192
  447   1HB   PRO  61          2HB       PRO  61  12.583   0.067  -4.287
  448   2HB   PRO  61          1HB       PRO  61  12.855   1.804  -4.079
  449   1HG   PRO  61          2HG       PRO  61  10.326   0.344  -4.558
  450   2HG   PRO  61          1HG       PRO  61  10.596   1.900  -3.760
  451   1HD   PRO  61          2HD       PRO  61   9.655   1.503  -6.410
  452   2HD   PRO  61          1HD       PRO  61  10.173   3.045  -5.689
  453    H    ASP  62           H        ASP  62  14.819  -0.277  -6.509
  454    HA   ASP  62           HA       ASP  62  13.383  -2.294  -8.100
  455   1HB   ASP  62          2HB       ASP  62  16.254  -1.470  -7.871
  456   2HB   ASP  62          1HB       ASP  62  15.854  -3.085  -8.455
  457    H    ASP  63           H        ASP  63  14.953  -1.854  -5.028
  458    HA   ASP  63           HA       ASP  63  15.434  -4.644  -4.533
  459   1HB   ASP  63          2HB       ASP  63  15.354  -2.251  -2.688
  460   2HB   ASP  63          1HB       ASP  63  15.774  -3.882  -2.163
  461    H    VAL  64           H        VAL  64  13.355  -2.456  -2.650
  462    HA   VAL  64           HA       VAL  64  11.768  -4.502  -1.566
  463    HB   VAL  64           HB       VAL  64  11.920  -2.239  -0.599
  464   1HG1  VAL  64          3HG1      VAL  64  11.836  -1.064  -2.836
  465   2HG1  VAL  64          2HG1      VAL  64  10.098  -1.361  -2.847
  466   3HG1  VAL  64          1HG1      VAL  64  10.812  -0.352  -1.589
  467   1HG2  VAL  64          2HG2      VAL  64   9.153  -3.197  -1.376
  468   2HG2  VAL  64          1HG2      VAL  64  10.037  -3.570   0.104
  469   3HG2  VAL  64          3HG2      VAL  64   9.441  -1.935  -0.179
  470    H    ALA  65           H        ALA  65  11.210  -2.409  -4.378
  471    HA   ALA  65           HA       ALA  65   8.628  -3.464  -4.975
  472   1HB   ALA  65          2HB       ALA  65   9.975  -1.288  -5.837
  473   2HB   ALA  65          1HB       ALA  65  10.251  -2.371  -7.201
  474   3HB   ALA  65          3HB       ALA  65   8.605  -1.981  -6.704
  475    H    GLY  66           H        GLY  66  11.870  -4.093  -6.299
  476   1HA   GLY  66          2HA       GLY  66  11.099  -5.969  -8.251
  477   2HA   GLY  66          1HA       GLY  66  12.699  -5.853  -7.531
  478    H    ARG  67           H        ARG  67  11.350  -6.272  -4.798
  479    HA   ARG  67           HA       ARG  67  10.939  -9.190  -5.070
  480   1HB   ARG  67          2HB       ARG  67  12.584  -7.647  -3.076
  481   2HB   ARG  67          1HB       ARG  67  11.970  -9.258  -2.704
  482   1HG   ARG  67          2HG       ARG  67  13.005  -9.995  -4.935
  483   2HG   ARG  67          1HG       ARG  67  13.860  -8.452  -4.921
  484   1HD   ARG  67          2HD       ARG  67  15.131  -9.017  -3.063
  485   2HD   ARG  67          1HD       ARG  67  13.940 -10.167  -2.468
  486    HE   ARG  67           HE       ARG  67  14.707 -11.490  -4.597
  487   1HH1  ARG  67          1HH2      ARG  67  16.323 -10.701  -1.791
  488   2HH1  ARG  67          2HH2      ARG  67  17.916 -11.060  -2.368
  489   1HH2  ARG  67          2HH1      ARG  67  16.921 -11.446  -5.667
  490   2HH2  ARG  67          1HH1      ARG  67  18.255 -11.481  -4.561
  491    H    VAL  68           H        VAL  68   8.832  -7.286  -5.071
  492    HA   VAL  68           HA       VAL  68   7.722  -7.186  -2.395
  493    HB   VAL  68           HB       VAL  68   7.248  -5.365  -3.979
  494   1HG1  VAL  68          3HG1      VAL  68   7.022  -7.307  -5.883
  495   2HG1  VAL  68          2HG1      VAL  68   5.328  -6.960  -5.559
  496   3HG1  VAL  68          1HG1      VAL  68   6.405  -5.665  -6.073
  497   1HG2  VAL  68          1HG2      VAL  68   5.464  -6.565  -2.268
  498   2HG2  VAL  68          3HG2      VAL  68   5.173  -5.038  -3.102
  499   3HG2  VAL  68          2HG2      VAL  68   4.549  -6.544  -3.776
  500    H    ASP  69           H        ASP  69   7.376  -9.209  -1.629
  501    HA   ASP  69           HA       ASP  69   6.038 -11.216  -3.258
  502   1HB   ASP  69          2HB       ASP  69   7.180 -11.210  -0.471
  503   2HB   ASP  69          1HB       ASP  69   6.218 -12.557  -1.079
  504    H    THR  70           H        THR  70   4.819  -8.596  -1.793
  505    HA   THR  70           HA       THR  70   2.288  -9.967  -1.197
  506    HB   THR  70           HB       THR  70   2.096  -8.155   0.709
  507    HG1  THR  70           HG1      THR  70   4.216  -7.959   1.681
  508   1HG2  THR  70          2HG2      THR  70   3.361 -10.855   0.672
  509   2HG2  THR  70          1HG2      THR  70   3.480  -9.924   2.166
  510   3HG2  THR  70          3HG2      THR  70   1.898 -10.309   1.491
  511    HA   PRO  71           HA       PRO  71   0.730  -6.545  -3.524
  512   1HB   PRO  71          2HB       PRO  71  -1.890  -6.601  -2.778
  513   2HB   PRO  71          1HB       PRO  71  -1.157  -7.793  -3.859
  514   1HG   PRO  71          2HG       PRO  71  -1.957  -8.078  -1.019
  515   2HG   PRO  71          1HG       PRO  71  -1.844  -9.302  -2.286
  516   1HD   PRO  71          2HD       PRO  71   0.046  -8.846  -0.230
  517   2HD   PRO  71          1HD       PRO  71   0.284  -9.863  -1.670
  518    H    ARG  72           H        ARG  72  -0.683  -6.598  -0.246
  519    HA   ARG  72           HA       ARG  72  -1.286  -3.896   0.025
  520   1HB   ARG  72          2HB       ARG  72  -1.686  -5.900   1.655
  521   2HB   ARG  72          1HB       ARG  72  -0.142  -5.405   2.352
  522   1HG   ARG  72          2HG       ARG  72  -1.203  -3.003   2.308
  523   2HG   ARG  72          1HG       ARG  72  -2.730  -3.881   2.219
  524   1HD   ARG  72          2HD       ARG  72  -1.737  -5.258   4.218
  525   2HD   ARG  72          1HD       ARG  72  -0.684  -3.863   4.418
  526    HE   ARG  72           HE       ARG  72  -2.604  -2.543   4.944
  527   1HH1  ARG  72          1HH2      ARG  72  -4.679  -3.892   3.258
  528   2HH1  ARG  72          2HH2      ARG  72  -5.639  -4.725   4.434
  529   1HH2  ARG  72          2HH1      ARG  72  -3.254  -4.483   6.941
  530   2HH2  ARG  72          1HH1      ARG  72  -4.833  -5.061   6.520
  531    H    GLU  73           H        GLU  73   1.835  -5.439   0.046
  532    HA   GLU  73           HA       GLU  73   3.311  -3.461   1.440
  533   1HB   GLU  73          2HB       GLU  73   3.946  -5.720  -0.389
  534   2HB   GLU  73          1HB       GLU  73   5.174  -4.467  -0.214
  535   1HG   GLU  73          2HG       GLU  73   3.846  -5.888   2.109
  536   2HG   GLU  73          1HG       GLU  73   5.420  -6.325   1.443
  537    H    LEU  74           H        LEU  74   2.889  -4.036  -2.057
  538    HA   LEU  74           HA       LEU  74   4.357  -1.856  -2.992
  539   1HB   LEU  74          2HB       LEU  74   2.376  -3.711  -4.092
  540   2HB   LEU  74          1HB       LEU  74   2.312  -2.121  -4.850
  541    HG   LEU  74           HG       LEU  74   5.025  -3.253  -4.417
  542   1HD1  LEU  74          2HD1      LEU  74   3.013  -4.404  -6.362
  543   2HD1  LEU  74          1HD1      LEU  74   4.753  -4.553  -6.601
  544   3HD1  LEU  74          3HD1      LEU  74   3.992  -5.271  -5.182
  545   1HD2  LEU  74          1HD2      LEU  74   3.576  -1.759  -6.621
  546   2HD2  LEU  74          3HD2      LEU  74   4.819  -1.132  -5.537
  547   3HD2  LEU  74          2HD2      LEU  74   5.243  -2.317  -6.772
  548    H    LEU  75           H        LEU  75   0.895  -2.036  -2.173
  549    HA   LEU  75           HA       LEU  75   0.144   0.546  -2.957
  550   1HB   LEU  75          2HB       LEU  75  -1.466  -1.201  -2.239
  551   2HB   LEU  75          1HB       LEU  75  -0.903  -1.017  -0.579
  552    HG   LEU  75           HG       LEU  75  -1.475   1.544  -1.017
  553   1HD1  LEU  75          3HD1      LEU  75  -2.113   0.751  -3.462
  554   2HD1  LEU  75          2HD1      LEU  75  -3.641   0.334  -2.687
  555   3HD1  LEU  75          1HD1      LEU  75  -3.058   1.996  -2.645
  556   1HD2  LEU  75          1HD2      LEU  75  -3.311  -0.740  -0.331
  557   2HD2  LEU  75          3HD2      LEU  75  -2.596   0.467   0.739
  558   3HD2  LEU  75          2HD2      LEU  75  -3.916   0.917  -0.341
  559    H    ASP  76           H        ASP  76   1.176  -0.562   0.271
  560    HA   ASP  76           HA       ASP  76   1.179   1.991   1.474
  561   1HB   ASP  76          2HB       ASP  76   1.271  -0.318   2.604
  562   2HB   ASP  76          1HB       ASP  76   3.009  -0.248   2.315
  563    H    LEU  77           H        LEU  77   3.426   0.511  -0.700
  564    HA   LEU  77           HA       LEU  77   5.765   1.926   0.114
  565   1HB   LEU  77          2HB       LEU  77   5.669  -0.154  -1.362
  566   2HB   LEU  77          1HB       LEU  77   5.211   0.927  -2.679
  567    HG   LEU  77           HG       LEU  77   7.568   1.747  -1.063
  568   1HD1  LEU  77          2HD1      LEU  77   7.398  -0.802  -2.591
  569   2HD1  LEU  77          1HD1      LEU  77   8.837   0.184  -2.853
  570   3HD1  LEU  77          3HD1      LEU  77   8.433  -0.373  -1.229
  571   1HD2  LEU  77          3HD2      LEU  77   6.868   1.679  -4.016
  572   2HD2  LEU  77          2HD2      LEU  77   6.840   3.092  -2.960
  573   3HD2  LEU  77          1HD2      LEU  77   8.375   2.328  -3.369
  574    H    ILE  78           H        ILE  78   3.705   2.370  -2.768
  575    HA   ILE  78           HA       ILE  78   4.804   4.865  -3.506
  576    HB   ILE  78           HB       ILE  78   2.052   3.733  -4.092
  577   1HG1  ILE  78          2HG1      ILE  78   3.546   3.486  -6.373
  578   2HG1  ILE  78          1HG1      ILE  78   4.776   3.222  -5.139
  579   1HG2  ILE  78          1HG2      ILE  78   3.537   6.152  -5.032
  580   2HG2  ILE  78          3HG2      ILE  78   2.567   5.267  -6.210
  581   3HG2  ILE  78          2HG2      ILE  78   1.808   5.931  -4.763
  582   1HD1  ILE  78          2HD1      ILE  78   2.324   1.794  -4.489
  583   2HD1  ILE  78          1HD1      ILE  78   2.929   1.336  -6.081
  584   3HD1  ILE  78          3HD1      ILE  78   3.966   1.172  -4.664
  585    H    ASN  79           H        ASN  79   2.195   3.975  -1.365
  586    HA   ASN  79           HA       ASN  79   0.890   6.407  -1.017
  587   1HB   ASN  79          2HB       ASN  79   0.627   3.917   0.065
  588   2HB   ASN  79          1HB       ASN  79   1.253   4.812   1.446
  589   1HD2  ASN  79          2HD2      ASN  79  -2.552   5.430   0.208
  590   2HD2  ASN  79          1HD2      ASN  79  -1.544   4.295  -0.555
  591    H    GLY  80           H        GLY  80   3.470   5.060   1.058
  592   1HA   GLY  80          2HA       GLY  80   3.806   7.342   2.666
  593   2HA   GLY  80          1HA       GLY  80   5.010   6.079   2.434
  594    H    ALA  81           H        ALA  81   5.667   6.275  -0.185
  595    HA   ALA  81           HA       ALA  81   7.483   8.408  -0.262
  596   1HB   ALA  81          2HB       ALA  81   6.375   6.637  -2.437
  597   2HB   ALA  81          1HB       ALA  81   7.602   7.864  -2.752
  598   3HB   ALA  81          3HB       ALA  81   7.946   6.537  -1.643
  599    H    LEU  82           H        LEU  82   4.118   8.326  -1.083
  600    HA   LEU  82           HA       LEU  82   4.246  10.715  -2.741
  601   1HB   LEU  82          2HB       LEU  82   2.585   8.716  -2.969
  602   2HB   LEU  82          1HB       LEU  82   1.701   9.530  -1.678
  603    HG   LEU  82           HG       LEU  82   1.738  11.627  -3.059
  604   1HD1  LEU  82          2HD1      LEU  82   3.140   9.736  -4.928
  605   2HD1  LEU  82          1HD1      LEU  82   2.152  11.039  -5.589
  606   3HD1  LEU  82          3HD1      LEU  82   3.525  11.415  -4.549
  607   1HD2  LEU  82          2HD2      LEU  82  -0.011   9.573  -3.140
  608   2HD2  LEU  82          1HD2      LEU  82  -0.208  11.021  -4.128
  609   3HD2  LEU  82          3HD2      LEU  82   0.506   9.568  -4.828
  610    H    ALA  83           H        ALA  83   3.487   9.817   0.554
  611    HA   ALA  83           HA       ALA  83   2.172  12.241   1.288
  612   1HB   ALA  83          1HB       ALA  83   2.055  10.056   2.555
  613   2HB   ALA  83          3HB       ALA  83   3.691  10.382   3.126
  614   3HB   ALA  83          2HB       ALA  83   2.374  11.476   3.551
  615    H    GLU  84           H        GLU  84   5.521  11.138   1.355
  616    HA   GLU  84           HA       GLU  84   6.497  13.446   2.766
  617   1HB   GLU  84          2HB       GLU  84   7.553  10.929   1.912
  618   2HB   GLU  84          1HB       GLU  84   8.595  12.196   1.270
  619   1HG   GLU  84          2HG       GLU  84   9.526  11.896   3.379
  620   2HG   GLU  84          1HG       GLU  84   8.370  13.185   3.713
  621    H    ALA  85           H        ALA  85   5.993  12.565  -0.582
  622    HA   ALA  85           HA       ALA  85   7.402  14.982  -1.490
  623   1HB   ALA  85          2HB       ALA  85   7.767  12.731  -2.614
  624   2HB   ALA  85          1HB       ALA  85   6.116  12.870  -3.222
  625   3HB   ALA  85          3HB       ALA  85   7.330  14.061  -3.686
  626    H    ALA  86           HN       ALA  86   4.867  15.127  -0.040
  627    HA   ALA  86           HA       ALA  86   2.897  16.307  -0.137
  628   1HB   ALA  86          2HB       ALA  86   4.408  17.961  -1.323
  629   2HB   ALA  86          1HB       ALA  86   3.817  17.289  -2.842
  630   3HB   ALA  86          3HB       ALA  86   2.696  18.076  -1.732
   
  No H/Q in entry =         630
  Start of MODEL   15
    1   1H    MET   1          2H        MET   1  -3.577  15.458   6.357
    2   2H    MET   1          1H        MET   1  -4.692  14.955   7.537
    3   3H    MET   1          3H        MET   1  -3.050  14.563   7.701
    4    HA   MET   1           HA       MET   1  -4.163  12.613   6.964
    5   1HB   MET   1          2HB       MET   1  -5.411  12.696   4.777
    6   2HB   MET   1          1HB       MET   1  -6.183  13.607   6.074
    7   1HG   MET   1          2HG       MET   1  -5.607  15.668   5.155
    8   2HG   MET   1          1HG       MET   1  -4.235  15.003   4.267
    9   1HE   MET   1          2HE       MET   1  -4.406  15.959   2.483
   10   2HE   MET   1          1HE       MET   1  -4.863  14.841   1.202
   11   3HE   MET   1          3HE       MET   1  -5.807  16.312   1.475
   12    H    ALA   2           H        ALA   2  -3.025  11.193   5.682
   13    HA   ALA   2           HA       ALA   2  -1.290  12.215   3.565
   14   1HB   ALA   2          1HB       ALA   2  -0.292  11.124   6.176
   15   2HB   ALA   2          3HB       ALA   2   0.633  10.848   4.699
   16   3HB   ALA   2          2HB       ALA   2   0.304  12.495   5.241
   17    H    THR   3           H        THR   3  -3.583  10.460   3.654
   18    HA   THR   3           HA       THR   3  -2.315   8.019   2.575
   19    HB   THR   3           HB       THR   3  -4.966   7.787   3.928
   20    HG1  THR   3           HG1      THR   3  -2.446   7.875   5.224
   21   1HG2  THR   3          2HG2      THR   3  -2.547   6.022   3.496
   22   2HG2  THR   3          1HG2      THR   3  -3.924   5.545   4.489
   23   3HG2  THR   3          3HG2      THR   3  -4.145   5.853   2.767
   24    H    LEU   4           H        LEU   4  -2.651   8.329   0.449
   25    HA   LEU   4           HA       LEU   4  -5.386   9.034  -0.428
   26   1HB   LEU   4          2HB       LEU   4  -4.291   9.711  -2.579
   27   2HB   LEU   4          1HB       LEU   4  -3.807  10.686  -1.192
   28    HG   LEU   4           HG       LEU   4  -2.158   8.273  -1.704
   29   1HD1  LEU   4          3HD1      LEU   4  -2.570  10.425  -3.710
   30   2HD1  LEU   4          2HD1      LEU   4  -0.894   9.992  -3.374
   31   3HD1  LEU   4          1HD1      LEU   4  -2.027   8.763  -3.938
   32   1HD2  LEU   4          2HD2      LEU   4  -1.906  11.026  -0.618
   33   2HD2  LEU   4          1HD2      LEU   4  -1.154   9.528  -0.070
   34   3HD2  LEU   4          3HD2      LEU   4  -0.480  10.401  -1.445
   35    H    LEU   5           H        LEU   5  -2.821   6.680  -0.636
   36    HA   LEU   5           HA       LEU   5  -4.120   5.239  -2.820
   37   1HB   LEU   5          2HB       LEU   5  -1.465   5.373  -1.759
   38   2HB   LEU   5          1HB       LEU   5  -2.015   3.706  -1.623
   39    HG   LEU   5           HG       LEU   5  -0.914   4.102  -3.793
   40   1HD1  LEU   5          1HD1      LEU   5  -3.749   3.302  -3.530
   41   2HD1  LEU   5          3HD1      LEU   5  -3.231   3.681  -5.172
   42   3HD1  LEU   5          2HD1      LEU   5  -2.393   2.435  -4.249
   43   1HD2  LEU   5          3HD2      LEU   5  -1.933   6.592  -3.713
   44   2HD2  LEU   5          2HD2      LEU   5  -1.465   5.817  -5.227
   45   3HD2  LEU   5          1HD2      LEU   5  -3.157   5.830  -4.730
   46    H    THR   6           H        THR   6  -6.035   4.460  -2.025
   47    HA   THR   6           HA       THR   6  -6.061   2.986   0.497
   48    HB   THR   6           HB       THR   6  -8.546   2.653  -0.300
   49    HG1  THR   6           HG1      THR   6  -8.455   3.419  -2.331
   50   1HG2  THR   6          2HG2      THR   6  -7.169   5.077   0.790
   51   2HG2  THR   6          1HG2      THR   6  -8.893   5.175   0.430
   52   3HG2  THR   6          3HG2      THR   6  -8.299   3.981   1.584
   53    H    THR   7           H        THR   7  -7.086   0.852   0.585
   54    HA   THR   7           HA       THR   7  -5.780  -1.087  -0.907
   55    HB   THR   7           HB       THR   7  -8.510  -1.370   0.372
   56    HG1  THR   7           HG1      THR   7  -7.168  -2.112   2.146
   57   1HG2  THR   7          2HG2      THR   7  -6.528  -3.238  -0.799
   58   2HG2  THR   7          1HG2      THR   7  -7.228  -3.723   0.745
   59   3HG2  THR   7          3HG2      THR   7  -8.277  -3.404  -0.636
   60    H    ASP   8           H        ASP   8  -8.901   0.448  -1.489
   61    HA   ASP   8           HA       ASP   8  -9.886  -1.153  -3.553
   62   1HB   ASP   8          2HB       ASP   8 -10.145   1.836  -3.143
   63   2HB   ASP   8          1HB       ASP   8 -11.075   0.917  -4.327
   64    H    ASP   9           H        ASP   9  -7.715   1.657  -3.712
   65    HA   ASP   9           HA       ASP   9  -7.420   1.714  -6.526
   66   1HB   ASP   9          2HB       ASP   9  -6.667   3.464  -4.761
   67   2HB   ASP   9          1HB       ASP   9  -5.206   2.483  -4.638
   68    H    LEU  10           H        LEU  10  -5.876  -0.126  -3.976
   69    HA   LEU  10           HA       LEU  10  -3.651  -1.165  -5.316
   70   1HB   LEU  10          2HB       LEU  10  -4.574  -1.464  -2.834
   71   2HB   LEU  10          1HB       LEU  10  -5.223  -2.953  -3.514
   72    HG   LEU  10           HG       LEU  10  -2.313  -2.096  -3.618
   73   1HD1  LEU  10          1HD1      LEU  10  -3.374  -2.865  -1.383
   74   2HD1  LEU  10          3HD1      LEU  10  -3.483  -4.453  -2.142
   75   3HD1  LEU  10          2HD1      LEU  10  -1.910  -3.687  -1.917
   76   1HD2  LEU  10          3HD2      LEU  10  -3.826  -4.491  -4.678
   77   2HD2  LEU  10          2HD2      LEU  10  -2.704  -3.438  -5.541
   78   3HD2  LEU  10          1HD2      LEU  10  -2.097  -4.573  -4.335
   79    H    ARG  11           H        ARG  11  -6.924  -2.539  -5.014
   80    HA   ARG  11           HA       ARG  11  -6.525  -4.817  -6.595
   81   1HB   ARG  11          2HB       ARG  11  -8.614  -3.856  -5.146
   82   2HB   ARG  11          1HB       ARG  11  -9.193  -3.547  -6.782
   83   1HG   ARG  11          2HG       ARG  11  -8.368  -6.010  -7.225
   84   2HG   ARG  11          1HG       ARG  11  -8.521  -6.165  -5.475
   85   1HD   ARG  11          2HD       ARG  11 -10.714  -5.194  -7.325
   86   2HD   ARG  11          1HD       ARG  11 -10.602  -6.823  -6.670
   87    HE   ARG  11           HE       ARG  11 -10.922  -4.423  -4.956
   88   1HH1  ARG  11          1HH2      ARG  11 -12.754  -6.878  -6.243
   89   2HH1  ARG  11          2HH2      ARG  11 -13.308  -7.532  -4.738
   90   1HH2  ARG  11          2HH1      ARG  11 -11.144  -5.629  -2.810
   91   2HH2  ARG  11          1HH1      ARG  11 -12.397  -6.824  -2.794
   92    H    ARG  12           H        ARG  12  -7.877  -1.649  -7.509
   93    HA   ARG  12           HA       ARG  12  -8.283  -2.197 -10.231
   94   1HB   ARG  12          2HB       ARG  12  -7.689   0.397  -8.799
   95   2HB   ARG  12          1HB       ARG  12  -8.096   0.309 -10.514
   96   1HG   ARG  12          2HG       ARG  12 -10.166  -1.040  -9.761
   97   2HG   ARG  12          1HG       ARG  12  -9.810  -0.430  -8.144
   98   1HD   ARG  12          2HD       ARG  12 -11.267   1.201  -8.962
   99   2HD   ARG  12          1HD       ARG  12  -9.694   1.898  -9.329
  100    HE   ARG  12           HE       ARG  12 -10.723   0.297 -11.491
  101   1HH1  ARG  12          2HH1      ARG  12  -9.265   3.121 -11.239
  102   2HH1  ARG  12          1HH1      ARG  12 -10.420   4.102 -12.078
  103   1HH2  ARG  12          1HH2      ARG  12 -12.907   1.687 -12.022
  104   2HH2  ARG  12          2HH2      ARG  12 -12.483   3.289 -12.521
  105    H    ALA  13           H        ALA  13  -5.343  -1.591  -8.488
  106    HA   ALA  13           HA       ALA  13  -3.821  -0.796 -10.817
  107   1HB   ALA  13          2HB       ALA  13  -3.193  -0.009  -8.563
  108   2HB   ALA  13          1HB       ALA  13  -2.870  -1.672  -8.079
  109   3HB   ALA  13          3HB       ALA  13  -1.881  -0.910  -9.324
  110    H    LEU  14           H        LEU  14  -4.429  -3.744  -9.001
  111    HA   LEU  14           HA       LEU  14  -2.439  -5.260 -10.471
  112   1HB   LEU  14          2HB       LEU  14  -4.290  -5.783  -8.213
  113   2HB   LEU  14          1HB       LEU  14  -3.875  -7.169  -9.221
  114    HG   LEU  14           HG       LEU  14  -1.645  -5.368  -8.398
  115   1HD1  LEU  14          1HD1      LEU  14  -3.342  -6.055  -6.416
  116   2HD1  LEU  14          3HD1      LEU  14  -2.373  -7.526  -6.482
  117   3HD1  LEU  14          2HD1      LEU  14  -1.595  -5.972  -6.184
  118   1HD2  LEU  14          2HD2      LEU  14  -2.082  -8.323  -8.866
  119   2HD2  LEU  14          1HD2      LEU  14  -1.050  -7.216  -9.773
  120   3HD2  LEU  14          3HD2      LEU  14  -0.598  -7.707  -8.140
  121    H    VAL  15           H        VAL  15  -5.713  -4.357 -10.976
  122    HA   VAL  15           HA       VAL  15  -6.491  -6.671 -12.501
  123    HB   VAL  15           HB       VAL  15  -7.705  -3.900 -12.565
  124   1HG1  VAL  15          2HG1      VAL  15  -8.221  -5.855 -14.282
  125   2HG1  VAL  15          1HG1      VAL  15  -9.198  -6.469 -12.947
  126   3HG1  VAL  15          3HG1      VAL  15  -9.527  -4.873 -13.620
  127   1HG2  VAL  15          1HG2      VAL  15  -7.571  -5.805 -10.403
  128   2HG2  VAL  15          3HG2      VAL  15  -8.395  -4.247 -10.446
  129   3HG2  VAL  15          2HG2      VAL  15  -9.236  -5.703 -10.974
  130    H    GLU  16           H        GLU  16  -5.092  -3.517 -13.148
  131    HA   GLU  16           HA       GLU  16  -5.372  -3.456 -15.945
  132   1HB   GLU  16          2HB       GLU  16  -3.455  -2.198 -14.012
  133   2HB   GLU  16          1HB       GLU  16  -3.162  -2.061 -15.746
  134   1HG   GLU  16          2HG       GLU  16  -5.218  -0.932 -16.116
  135   2HG   GLU  16          1HG       GLU  16  -5.846  -1.394 -14.534
  136    H    CYS  17           H        CYS  17  -3.127  -5.148 -13.864
  137    HA   CYS  17           HA       CYS  17  -1.139  -5.776 -15.772
  138   1HB   CYS  17          2HB       CYS  17  -2.003  -7.456 -13.405
  139   2HB   CYS  17          1HB       CYS  17  -0.456  -7.537 -14.245
  140    HG   CYS  17           HG       CYS  17  -1.195  -4.816 -12.950
  141    H    ALA  18           H        ALA  18  -3.617  -7.979 -14.453
  142    HA   ALA  18           HA       ALA  18  -3.353  -9.808 -16.647
  143   1HB   ALA  18          2HB       ALA  18  -5.175  -9.590 -14.273
  144   2HB   ALA  18          1HB       ALA  18  -5.570 -10.708 -15.579
  145   3HB   ALA  18          3HB       ALA  18  -4.051 -10.880 -14.701
  146    H    GLY  19           H        GLY  19  -6.259  -8.082 -15.518
  147   1HA   GLY  19          2HA       GLY  19  -7.471  -6.557 -16.981
  148   2HA   GLY  19          1HA       GLY  19  -6.945  -7.538 -18.345
  149    H    GLU  20           H        GLU  20  -8.126  -9.255 -18.972
  150    HA   GLU  20           HA       GLU  20  -9.748 -10.896 -18.995
  151   1HB   GLU  20          2HB       GLU  20  -9.373 -10.745 -16.312
  152   2HB   GLU  20          1HB       GLU  20 -11.036 -10.175 -16.425
  153   1HG   GLU  20          2HG       GLU  20 -11.831 -12.205 -17.098
  154   2HG   GLU  20          1HG       GLU  20 -10.407 -12.548 -18.080
  155    H    THR  21           H        THR  21 -11.322  -8.331 -17.043
  156    HA   THR  21           HA       THR  21 -12.901  -7.594 -19.368
  157    HB   THR  21           HB       THR  21 -14.064  -9.403 -17.970
  158    HG1  THR  21           HG1      THR  21 -16.031  -8.368 -18.226
  159   1HG2  THR  21          1HG2      THR  21 -13.342  -8.010 -15.806
  160   2HG2  THR  21          3HG2      THR  21 -14.910  -7.254 -16.089
  161   3HG2  THR  21          2HG2      THR  21 -14.804  -8.995 -15.836
  162    H    ASP  22           H        ASP  22 -14.627  -5.972 -17.577
  163    HA   ASP  22           HA       ASP  22 -12.683  -3.835 -17.024
  164   1HB   ASP  22          2HB       ASP  22 -14.676  -2.319 -17.136
  165   2HB   ASP  22          1HB       ASP  22 -14.337  -3.155 -18.651
  166    H    GLY  23           H        GLY  23 -13.334  -6.099 -15.238
  167   1HA   GLY  23          2HA       GLY  23 -14.219  -4.488 -12.922
  168   2HA   GLY  23          1HA       GLY  23 -14.911  -6.083 -13.202
  169    H    THR  24           H        THR  24 -14.116  -7.401 -11.717
  170    HA   THR  24           HA       THR  24 -11.297  -7.983 -11.630
  171    HB   THR  24           HB       THR  24 -12.405  -7.290  -8.950
  172    HG1  THR  24           HG1      THR  24 -11.184  -5.347 -10.602
  173   1HG2  THR  24          2HG2      THR  24  -9.781  -7.651 -10.293
  174   2HG2  THR  24          1HG2      THR  24  -9.845  -6.435  -9.017
  175   3HG2  THR  24          3HG2      THR  24 -10.288  -8.105  -8.665
  176    H    ASP  25           H        ASP  25 -11.058 -10.072 -11.216
  177    HA   ASP  25           HA       ASP  25 -13.400 -11.633 -10.439
  178   1HB   ASP  25          2HB       ASP  25 -10.642 -12.476 -11.370
  179   2HB   ASP  25          1HB       ASP  25 -11.955 -13.592 -10.991
  180    H    LEU  26           H        LEU  26 -13.223 -10.559  -8.257
  181    HA   LEU  26           HA       LEU  26 -11.786 -12.363  -6.457
  182   1HB   LEU  26          2HB       LEU  26 -11.367  -9.382  -6.579
  183   2HB   LEU  26          1HB       LEU  26 -11.132 -10.277  -5.077
  184    HG   LEU  26           HG       LEU  26  -9.798 -11.056  -7.679
  185   1HD1  LEU  26          3HD1      LEU  26  -9.085  -9.009  -5.639
  186   2HD1  LEU  26          2HD1      LEU  26  -7.780 -10.059  -6.194
  187   3HD1  LEU  26          1HD1      LEU  26  -8.677  -9.078  -7.353
  188   1HD2  LEU  26          2HD2      LEU  26  -9.741 -11.969  -4.835
  189   2HD2  LEU  26          1HD2      LEU  26  -9.609 -12.913  -6.319
  190   3HD2  LEU  26          3HD2      LEU  26  -8.220 -12.000  -5.728
  191    H    SER  27           H        SER  27 -13.306 -13.112  -5.154
  192    HA   SER  27           HA       SER  27 -15.867 -12.061  -4.827
  193   1HB   SER  27          2HB       SER  27 -16.151 -13.629  -3.020
  194   2HB   SER  27          1HB       SER  27 -15.172 -14.398  -4.265
  195    HG   SER  27           HG       SER  27 -13.582 -14.492  -2.899
  196    H    GLY  28           H        GLY  28 -12.923 -11.145  -3.297
  197   1HA   GLY  28          2HA       GLY  28 -13.675  -8.744  -2.287
  198   2HA   GLY  28          1HA       GLY  28 -14.169  -9.864  -1.021
  199    H    ASP  29           H        ASP  29 -12.288 -11.646  -0.732
  200    HA   ASP  29           HA       ASP  29 -10.076 -10.182   0.372
  201   1HB   ASP  29          2HB       ASP  29 -10.440 -13.173   0.066
  202   2HB   ASP  29          1HB       ASP  29  -9.254 -12.370   1.094
  203    H    PHE  30           H        PHE  30  -8.230  -9.665  -0.591
  204    HA   PHE  30           HA       PHE  30  -7.108 -11.368  -2.671
  205   1HB   PHE  30          2HB       PHE  30  -7.004  -9.679  -4.377
  206   2HB   PHE  30          1HB       PHE  30  -8.679  -9.794  -3.849
  207    HD1  PHE  30           HD1      PHE  30  -9.187  -8.188  -1.687
  208    HD2  PHE  30           HD2      PHE  30  -6.161  -7.535  -4.664
  209    HE1  PHE  30           HE1      PHE  30  -9.163  -5.773  -1.132
  210    HE2  PHE  30           HE2      PHE  30  -6.133  -5.119  -4.105
  211    HZ   PHE  30           HZ       PHE  30  -7.637  -4.239  -2.342
  212    H    LEU  31           H        LEU  31  -6.433 -10.321   0.072
  213    HA   LEU  31           HA       LEU  31  -3.787  -9.236  -0.647
  214   1HB   LEU  31          2HB       LEU  31  -5.471  -8.298   1.685
  215   2HB   LEU  31          1HB       LEU  31  -3.864  -7.711   1.246
  216    HG   LEU  31           HG       LEU  31  -6.225  -7.612  -0.644
  217   1HD1  LEU  31          3HD1      LEU  31  -6.060  -6.150   1.685
  218   2HD1  LEU  31          2HD1      LEU  31  -5.287  -5.076   0.519
  219   3HD1  LEU  31          1HD1      LEU  31  -6.932  -5.650   0.237
  220   1HD2  LEU  31          3HD2      LEU  31  -3.513  -6.249  -0.599
  221   2HD2  LEU  31          2HD2      LEU  31  -4.017  -7.532  -1.700
  222   3HD2  LEU  31          1HD2      LEU  31  -4.774  -5.942  -1.794
  223    H    ASP  32           H        ASP  32  -3.426 -11.599  -0.460
  224    HA   ASP  32           HA       ASP  32  -2.234 -12.171   2.113
  225   1HB   ASP  32          2HB       ASP  32  -4.511 -13.859   1.042
  226   2HB   ASP  32          1HB       ASP  32  -3.373 -14.421   2.266
  227    H    LEU  33           H        LEU  33  -0.473 -11.911   0.556
  228    HA   LEU  33           HA       LEU  33   1.203 -12.766  -0.765
  229   1HB   LEU  33          2HB       LEU  33  -0.150 -15.378  -0.041
  230   2HB   LEU  33          1HB       LEU  33   1.349 -15.274  -0.961
  231    HG   LEU  33           HG       LEU  33   1.047 -13.906   1.712
  232   1HD1  LEU  33          2HD1      LEU  33   0.577 -16.411   1.835
  233   2HD1  LEU  33          1HD1      LEU  33   2.233 -16.657   1.280
  234   3HD1  LEU  33          3HD1      LEU  33   1.929 -15.840   2.813
  235   1HD2  LEU  33          1HD2      LEU  33   2.940 -13.551  -0.113
  236   2HD2  LEU  33          3HD2      LEU  33   3.356 -13.643   1.599
  237   3HD2  LEU  33          2HD2      LEU  33   3.568 -15.055   0.562
  238    H    ARG  34           H        ARG  34  -1.140 -11.736  -1.907
  239    HA   ARG  34           HA       ARG  34  -2.281 -13.328  -3.930
  240   1HB   ARG  34          2HB       ARG  34  -3.206 -11.155  -3.127
  241   2HB   ARG  34          1HB       ARG  34  -1.898 -10.321  -3.963
  242   1HG   ARG  34          2HG       ARG  34  -3.600 -10.257  -5.564
  243   2HG   ARG  34          1HG       ARG  34  -2.722 -11.710  -6.042
  244   1HD   ARG  34          2HD       ARG  34  -4.313 -13.062  -4.667
  245   2HD   ARG  34          1HD       ARG  34  -5.228 -11.594  -4.342
  246    HE   ARG  34           HE       ARG  34  -6.177 -11.834  -6.438
  247   1HH1  ARG  34          2HH1      ARG  34  -4.474 -11.455  -8.510
  248   2HH1  ARG  34          1HH1      ARG  34  -4.020 -13.003  -9.138
  249   1HH2  ARG  34          1HH2      ARG  34  -5.013 -14.738  -6.304
  250   2HH2  ARG  34          2HH2      ARG  34  -4.325 -14.862  -7.889
  251    H    PHE  35           H        PHE  35   0.649 -11.357  -3.871
  252    HA   PHE  35           HA       PHE  35   1.178 -11.333  -6.640
  253   1HB   PHE  35          2HB       PHE  35   2.833 -10.990  -4.177
  254   2HB   PHE  35          1HB       PHE  35   3.671 -11.284  -5.699
  255    HD1  PHE  35           HD2      PHE  35   0.557  -9.369  -4.826
  256    HD2  PHE  35           HD1      PHE  35   4.494  -9.255  -6.559
  257    HE1  PHE  35           HE2      PHE  35   0.211  -7.002  -5.473
  258    HE2  PHE  35           HE1      PHE  35   4.139  -6.893  -7.198
  259    HZ   PHE  35           HZ       PHE  35   2.005  -5.766  -6.659
  260    H    GLU  36           H        GLU  36   2.955 -13.298  -4.260
  261    HA   GLU  36           HA       GLU  36   4.011 -15.123  -6.099
  262   1HB   GLU  36          2HB       GLU  36   4.350 -16.611  -4.116
  263   2HB   GLU  36          1HB       GLU  36   4.939 -14.965  -3.880
  264   1HG   GLU  36          2HG       GLU  36   3.129 -14.385  -2.489
  265   2HG   GLU  36          1HG       GLU  36   2.144 -15.733  -3.056
  266    H    ASP  37           H        ASP  37   0.793 -14.907  -4.852
  267    HA   ASP  37           HA       ASP  37  -0.137 -17.493  -4.793
  268   1HB   ASP  37          2HB       ASP  37  -1.430 -15.317  -4.397
  269   2HB   ASP  37          1HB       ASP  37  -1.697 -15.296  -6.140
  270    H    ILE  38           H        ILE  38  -0.442 -15.419  -7.692
  271    HA   ILE  38           HA       ILE  38  -1.014 -17.635  -9.393
  272    HB   ILE  38           HB       ILE  38  -0.851 -16.044 -11.237
  273   1HG1  ILE  38          2HG1      ILE  38  -0.303 -13.664  -9.611
  274   2HG1  ILE  38          1HG1      ILE  38   1.065 -14.772  -9.640
  275   1HG2  ILE  38          1HG2      ILE  38  -2.694 -16.021  -9.255
  276   2HG2  ILE  38          3HG2      ILE  38  -2.118 -14.356  -9.148
  277   3HG2  ILE  38          2HG2      ILE  38  -2.785 -14.965 -10.664
  278   1HD1  ILE  38          1HD1      ILE  38   0.409 -14.841 -12.253
  279   2HD1  ILE  38          3HD1      ILE  38  -0.156 -13.218 -11.860
  280   3HD1  ILE  38          2HD1      ILE  38   1.530 -13.654 -11.587
  281    H    GLY  39           H        GLY  39   1.933 -16.130  -8.330
  282   1HA   GLY  39          2HA       GLY  39   3.935 -17.571  -8.514
  283   2HA   GLY  39          1HA       GLY  39   3.451 -17.875 -10.179
  284    H    TYR  40           H        TYR  40   3.390 -14.781  -8.457
  285    HA   TYR  40           HA       TYR  40   4.708 -13.421 -10.603
  286   1HB   TYR  40          2HB       TYR  40   3.581 -12.688  -7.968
  287   2HB   TYR  40          1HB       TYR  40   4.916 -11.679  -8.511
  288    HD1  TYR  40           HD1      TYR  40   4.781 -10.469 -10.678
  289    HD2  TYR  40           HD2      TYR  40   1.432 -12.626  -9.067
  290    HE1  TYR  40           HE1      TYR  40   3.260  -9.264 -12.223
  291    HE2  TYR  40           HE2      TYR  40  -0.087 -11.421 -10.613
  292    HH   TYR  40           HH       TYR  40   1.070  -9.547 -13.236
  293    H    ASP  41           H        ASP  41   6.769 -12.514 -10.648
  294    HA   ASP  41           HA       ASP  41   8.675 -13.633  -8.680
  295   1HB   ASP  41          2HB       ASP  41  10.373 -13.367 -10.615
  296   2HB   ASP  41          1HB       ASP  41   9.263 -14.731 -10.670
  297    H    SER  42           H        SER  42   8.257 -11.020 -11.058
  298    HA   SER  42           HA       SER  42   8.446  -8.815  -9.476
  299   1HB   SER  42          2HB       SER  42  10.925  -8.173  -9.802
  300   2HB   SER  42          1HB       SER  42  10.555  -9.329  -8.527
  301    HG   SER  42           HG       SER  42  12.089  -9.632 -10.706
  302    H    LEU  43           H        LEU  43  10.101 -10.157 -12.327
  303    HA   LEU  43           HA       LEU  43  10.166  -7.790 -13.847
  304   1HB   LEU  43          2HB       LEU  43  11.275 -10.117 -14.284
  305   2HB   LEU  43          1HB       LEU  43   9.778 -10.465 -15.149
  306    HG   LEU  43           HG       LEU  43  10.165  -8.213 -16.349
  307   1HD1  LEU  43          3HD1      LEU  43  12.061  -7.736 -14.581
  308   2HD1  LEU  43          2HD1      LEU  43  13.055  -8.685 -15.687
  309   3HD1  LEU  43          1HD1      LEU  43  12.268  -7.212 -16.251
  310   1HD2  LEU  43          2HD2      LEU  43  10.625 -10.672 -17.152
  311   2HD2  LEU  43          1HD2      LEU  43  11.279  -9.325 -18.083
  312   3HD2  LEU  43          3HD2      LEU  43  12.319 -10.217 -16.973
  313    H    ALA  44           H        ALA  44   7.634 -10.153 -13.319
  314    HA   ALA  44           HA       ALA  44   5.926  -9.380 -15.448
  315   1HB   ALA  44          2HB       ALA  44   5.732 -11.489 -14.049
  316   2HB   ALA  44          1HB       ALA  44   5.031 -10.484 -12.782
  317   3HB   ALA  44          3HB       ALA  44   4.218 -10.631 -14.340
  318    H    LEU  45           H        LEU  45   6.046  -8.434 -12.022
  319    HA   LEU  45           HA       LEU  45   4.009  -6.394 -12.469
  320   1HB   LEU  45          2HB       LEU  45   4.151  -6.018 -10.050
  321   2HB   LEU  45          1HB       LEU  45   3.907  -7.718 -10.429
  322    HG   LEU  45           HG       LEU  45   6.672  -7.484 -10.395
  323   1HD1  LEU  45          2HD1      LEU  45   5.880  -5.170  -9.211
  324   2HD1  LEU  45          1HD1      LEU  45   5.910  -6.245  -7.812
  325   3HD1  LEU  45          3HD1      LEU  45   7.366  -6.018  -8.784
  326   1HD2  LEU  45          3HD2      LEU  45   4.547  -8.542  -8.600
  327   2HD2  LEU  45          2HD2      LEU  45   5.912  -9.379  -9.339
  328   3HD2  LEU  45          1HD2      LEU  45   6.158  -8.395  -7.896
  329    H    MET  46           H        MET  46   7.218  -6.482 -13.090
  330    HA   MET  46           HA       MET  46   7.930  -3.875 -12.000
  331   1HB   MET  46          2HB       MET  46   9.615  -5.720 -12.177
  332   2HB   MET  46          1HB       MET  46   9.486  -5.614 -13.932
  333   1HG   MET  46          2HG       MET  46   9.932  -3.018 -13.400
  334   2HG   MET  46          1HG       MET  46  10.739  -3.720 -11.998
  335   1HE   MET  46          2HE       MET  46  10.185  -3.755 -15.687
  336   2HE   MET  46          1HE       MET  46  11.412  -2.501 -15.524
  337   3HE   MET  46          3HE       MET  46  11.774  -3.988 -16.412
  338    H    GLU  47           H        GLU  47   6.985  -5.337 -15.048
  339    HA   GLU  47           HA       GLU  47   7.537  -2.993 -16.632
  340   1HB   GLU  47          2HB       GLU  47   6.182  -5.623 -17.119
  341   2HB   GLU  47          1HB       GLU  47   5.947  -4.301 -18.265
  342   1HG   GLU  47          2HG       GLU  47   8.614  -4.136 -17.995
  343   2HG   GLU  47          1HG       GLU  47   8.413  -5.853 -17.644
  344    H    THR  48           H        THR  48   4.718  -4.429 -15.072
  345    HA   THR  48           HA       THR  48   2.825  -2.576 -16.152
  346    HB   THR  48           HB       THR  48   2.508  -4.111 -13.573
  347    HG1  THR  48           HG1      THR  48   2.229  -4.965 -16.259
  348   1HG2  THR  48          2HG2      THR  48   0.787  -2.565 -15.381
  349   2HG2  THR  48          1HG2      THR  48   0.156  -4.173 -15.021
  350   3HG2  THR  48          3HG2      THR  48   0.514  -3.051 -13.708
  351    H    ALA  49           H        ALA  49   4.421  -2.875 -12.981
  352    HA   ALA  49           HA       ALA  49   3.304  -0.526 -11.862
  353   1HB   ALA  49          1HB       ALA  49   4.618  -2.477 -10.719
  354   2HB   ALA  49          3HB       ALA  49   6.039  -1.503 -11.102
  355   3HB   ALA  49          2HB       ALA  49   4.768  -0.842 -10.074
  356    H    ALA  50           H        ALA  50   6.091  -1.109 -13.901
  357    HA   ALA  50           HA       ALA  50   7.405   1.370 -13.534
  358   1HB   ALA  50          3HB       ALA  50   7.434  -0.724 -15.679
  359   2HB   ALA  50          2HB       ALA  50   8.237   0.821 -15.959
  360   3HB   ALA  50          1HB       ALA  50   8.737  -0.202 -14.613
  361    H    ARG  51           H        ARG  51   4.969   0.291 -15.880
  362    HA   ARG  51           HA       ARG  51   4.879   2.677 -17.394
  363   1HB   ARG  51          2HB       ARG  51   2.919   0.432 -16.960
  364   2HB   ARG  51          1HB       ARG  51   2.495   1.839 -17.936
  365   1HG   ARG  51          2HG       ARG  51   5.028   0.262 -18.416
  366   2HG   ARG  51          1HG       ARG  51   3.502  -0.159 -19.193
  367   1HD   ARG  51          2HD       ARG  51   3.359   2.159 -20.092
  368   2HD   ARG  51          1HD       ARG  51   4.934   2.506 -19.385
  369    HE   ARG  51           HE       ARG  51   4.597   0.362 -21.402
  370   1HH1  ARG  51          2HH1      ARG  51   7.311   0.904 -20.234
  371   2HH1  ARG  51          1HH1      ARG  51   8.022   1.956 -21.412
  372   1HH2  ARG  51          1HH2      ARG  51   5.000   2.740 -22.922
  373   2HH2  ARG  51          2HH2      ARG  51   6.713   2.997 -22.934
  374    H    LEU  52           H        LEU  52   3.059   1.584 -14.559
  375    HA   LEU  52           HA       LEU  52   1.585   4.103 -14.444
  376   1HB   LEU  52          2HB       LEU  52   1.409   1.470 -13.053
  377   2HB   LEU  52          1HB       LEU  52   0.770   2.894 -12.230
  378    HG   LEU  52           HG       LEU  52  -0.548   3.426 -14.299
  379   1HD1  LEU  52          2HD1      LEU  52   0.479   0.695 -15.132
  380   2HD1  LEU  52          1HD1      LEU  52  -0.818   1.568 -15.948
  381   3HD1  LEU  52          3HD1      LEU  52   0.817   2.230 -15.932
  382   1HD2  LEU  52          3HD2      LEU  52  -1.245   1.866 -12.258
  383   2HD2  LEU  52          2HD2      LEU  52  -2.305   2.054 -13.655
  384   3HD2  LEU  52          1HD2      LEU  52  -1.277   0.628 -13.514
  385    H    GLU  53           H        GLU  53   4.648   3.327 -13.593
  386    HA   GLU  53           HA       GLU  53   4.824   4.172 -10.890
  387   1HB   GLU  53          2HB       GLU  53   6.611   2.917 -12.148
  388   2HB   GLU  53          1HB       GLU  53   6.974   4.416 -13.004
  389   1HG   GLU  53          2HG       GLU  53   7.023   5.354 -10.483
  390   2HG   GLU  53          1HG       GLU  53   7.489   3.683 -10.165
  391    H    SER  54           H        SER  54   4.839   5.861 -13.968
  392    HA   SER  54           HA       SER  54   5.479   8.417 -12.710
  393   1HB   SER  54          2HB       SER  54   5.218   9.300 -15.044
  394   2HB   SER  54          1HB       SER  54   6.445   8.045 -14.889
  395    HG   SER  54           HG       SER  54   4.823   7.875 -16.663
  396    H    ARG  55           H        ARG  55   2.737   6.680 -14.034
  397    HA   ARG  55           HA       ARG  55   0.899   8.811 -14.208
  398   1HB   ARG  55          2HB       ARG  55   0.554   6.504 -15.144
  399   2HB   ARG  55          1HB       ARG  55   0.255   5.940 -13.499
  400   1HG   ARG  55          2HG       ARG  55  -1.668   7.363 -13.273
  401   2HG   ARG  55          1HG       ARG  55  -1.290   8.212 -14.772
  402   1HD   ARG  55          2HD       ARG  55  -2.017   6.471 -16.106
  403   2HD   ARG  55          1HD       ARG  55  -1.650   5.249 -14.893
  404    HE   ARG  55           HE       ARG  55  -3.693   6.574 -13.736
  405   1HH1  ARG  55          2HH1      ARG  55  -3.894   7.001 -16.957
  406   2HH1  ARG  55          1HH1      ARG  55  -5.262   5.979 -17.250
  407   1HH2  ARG  55          1HH2      ARG  55  -5.182   4.526 -14.102
  408   2HH2  ARG  55          2HH2      ARG  55  -5.991   4.578 -15.633
  409    H    TYR  56           H        TYR  56   1.977   6.835 -11.520
  410    HA   TYR  56           HA       TYR  56  -0.037   7.906  -9.711
  411   1HB   TYR  56          2HB       TYR  56   2.151   5.878  -9.510
  412   2HB   TYR  56          1HB       TYR  56   1.557   6.631  -8.029
  413    HD1  TYR  56           HD1      TYR  56   0.159   5.203 -11.212
  414    HD2  TYR  56           HD2      TYR  56  -0.207   5.574  -6.947
  415    HE1  TYR  56           HE1      TYR  56  -1.829   3.721 -11.255
  416    HE2  TYR  56           HE2      TYR  56  -2.196   4.092  -6.991
  417    HH   TYR  56           HH       TYR  56  -3.041   2.199  -8.642
  418    H    GLY  57           H        GLY  57   3.340   8.391 -10.518
  419   1HA   GLY  57          2HA       GLY  57   4.324  10.581 -10.172
  420   2HA   GLY  57          1HA       GLY  57   3.380  10.716  -8.692
  421    H    VAL  58           H        VAL  58   4.025   7.839  -8.039
  422    HA   VAL  58           HA       VAL  58   6.198   8.283  -6.327
  423    HB   VAL  58           HB       VAL  58   4.523   6.525  -5.964
  424   1HG1  VAL  58          1HG1      VAL  58   5.841   5.194  -8.347
  425   2HG1  VAL  58          3HG1      VAL  58   4.647   4.434  -7.295
  426   3HG1  VAL  58          2HG1      VAL  58   4.194   5.821  -8.284
  427   1HG2  VAL  58          3HG2      VAL  58   6.961   6.391  -5.112
  428   2HG2  VAL  58          2HG2      VAL  58   5.990   4.920  -5.055
  429   3HG2  VAL  58          1HG2      VAL  58   7.174   5.146  -6.342
  430    H    SER  59           H        SER  59   8.282   7.230  -6.337
  431    HA   SER  59           HA       SER  59   9.359   6.499  -8.969
  432   1HB   SER  59          2HB       SER  59  11.381   7.998  -8.408
  433   2HB   SER  59          1HB       SER  59   9.924   8.789  -9.003
  434    HG   SER  59           HG       SER  59   9.410   9.366  -6.919
  435    H    ILE  60           H        ILE  60   8.885   4.630  -7.212
  436    HA   ILE  60           HA       ILE  60  11.070   4.224  -5.364
  437    HB   ILE  60           HB       ILE  60   8.474   3.380  -5.432
  438   1HG1  ILE  60          2HG1      ILE  60   9.948   1.478  -3.859
  439   2HG1  ILE  60          1HG1      ILE  60  10.780   3.029  -3.789
  440   1HG2  ILE  60          2HG2      ILE  60   8.894   1.723  -7.219
  441   2HG2  ILE  60          1HG2      ILE  60  10.101   0.939  -6.201
  442   3HG2  ILE  60          3HG2      ILE  60   8.406   0.949  -5.712
  443   1HD1  ILE  60          3HD1      ILE  60   7.806   2.704  -3.317
  444   2HD1  ILE  60          2HD1      ILE  60   9.005   2.732  -2.025
  445   3HD1  ILE  60          1HD1      ILE  60   8.774   4.151  -3.046
  446    HA   PRO  61           HA       PRO  61  13.674   2.101  -8.233
  447   1HB   PRO  61          2HB       PRO  61  15.183   0.585  -6.531
  448   2HB   PRO  61          1HB       PRO  61  15.356   2.337  -6.708
  449   1HG   PRO  61          2HG       PRO  61  14.184   0.786  -4.487
  450   2HG   PRO  61          1HG       PRO  61  14.873   2.415  -4.484
  451   1HD   PRO  61          2HD       PRO  61  12.107   1.721  -4.511
  452   2HD   PRO  61          1HD       PRO  61  12.801   3.350  -4.680
  453    H    ASP  62           H        ASP  62  14.791  -0.348  -8.278
  454    HA   ASP  62           HA       ASP  62  12.473  -2.109  -8.669
  455   1HB   ASP  62          2HB       ASP  62  15.150  -1.838  -9.900
  456   2HB   ASP  62          1HB       ASP  62  14.559  -3.489  -9.722
  457    H    ASP  63           H        ASP  63  14.943  -1.626  -6.386
  458    HA   ASP  63           HA       ASP  63  15.406  -4.375  -5.697
  459   1HB   ASP  63          2HB       ASP  63  16.798  -2.166  -5.163
  460   2HB   ASP  63          1HB       ASP  63  15.824  -2.210  -3.694
  461    H    VAL  64           H        VAL  64  13.647  -1.732  -4.060
  462    HA   VAL  64           HA       VAL  64  12.477  -3.477  -2.123
  463    HB   VAL  64           HB       VAL  64  12.866  -1.076  -1.696
  464   1HG1  VAL  64          2HG1      VAL  64  12.197  -0.355  -4.033
  465   2HG1  VAL  64          1HG1      VAL  64  10.519  -0.563  -3.535
  466   3HG1  VAL  64          3HG1      VAL  64  11.536   0.631  -2.729
  467   1HG2  VAL  64          3HG2      VAL  64   9.962  -1.946  -1.577
  468   2HG2  VAL  64          2HG2      VAL  64  11.194  -2.264  -0.357
  469   3HG2  VAL  64          1HG2      VAL  64  10.655  -0.612  -0.653
  470    H    ALA  65           H        ALA  65  11.247  -1.933  -5.079
  471    HA   ALA  65           HA       ALA  65   8.614  -3.055  -4.806
  472   1HB   ALA  65          2HB       ALA  65  10.030  -1.740  -7.132
  473   2HB   ALA  65          1HB       ALA  65   8.353  -2.285  -7.192
  474   3HB   ALA  65          3HB       ALA  65   8.829  -1.019  -6.060
  475    H    GLY  66           H        GLY  66  11.604  -4.053  -6.326
  476   1HA   GLY  66          2HA       GLY  66  10.453  -6.072  -8.003
  477   2HA   GLY  66          1HA       GLY  66  12.154  -5.930  -7.572
  478    H    ARG  67           H        ARG  67  11.623  -5.945  -4.698
  479    HA   ARG  67           HA       ARG  67  11.261  -8.848  -4.392
  480   1HB   ARG  67          2HB       ARG  67  13.237  -7.337  -3.427
  481   2HB   ARG  67          1HB       ARG  67  12.086  -7.118  -2.108
  482   1HG   ARG  67          2HG       ARG  67  12.455  -9.897  -3.110
  483   2HG   ARG  67          1HG       ARG  67  13.793  -9.200  -2.197
  484   1HD   ARG  67          2HD       ARG  67  11.705  -8.451  -0.632
  485   2HD   ARG  67          1HD       ARG  67  11.073  -9.955  -1.291
  486    HE   ARG  67           HE       ARG  67  13.036  -9.751   0.724
  487   1HH1  ARG  67          1HH2      ARG  67  15.090 -10.763  -0.888
  488   2HH1  ARG  67          2HH2      ARG  67  14.800 -12.464  -1.044
  489   1HH2  ARG  67          2HH1      ARG  67  11.482 -12.258  -0.055
  490   2HH2  ARG  67          1HH1      ARG  67  12.758 -13.309  -0.573
  491    H    VAL  68           H        VAL  68   8.921  -7.371  -4.876
  492    HA   VAL  68           HA       VAL  68   7.636  -7.171  -2.238
  493    HB   VAL  68           HB       VAL  68   7.368  -5.247  -3.780
  494   1HG1  VAL  68          1HG1      VAL  68   7.239  -6.936  -5.826
  495   2HG1  VAL  68          3HG1      VAL  68   5.510  -6.858  -5.486
  496   3HG1  VAL  68          2HG1      VAL  68   6.398  -5.387  -5.879
  497   1HG2  VAL  68          3HG2      VAL  68   5.524  -6.339  -2.145
  498   2HG2  VAL  68          2HG2      VAL  68   5.227  -4.866  -3.069
  499   3HG2  VAL  68          1HG2      VAL  68   4.640  -6.417  -3.669
  500    H    ASP  69           H        ASP  69   7.135  -9.196  -1.617
  501    HA   ASP  69           HA       ASP  69   5.787 -10.983  -3.525
  502   1HB   ASP  69          2HB       ASP  69   6.085 -12.700  -1.736
  503   2HB   ASP  69          1HB       ASP  69   7.605 -12.007  -2.302
  504    H    THR  70           H        THR  70   4.635  -8.555  -1.903
  505    HA   THR  70           HA       THR  70   2.177  -9.972  -1.146
  506    HB   THR  70           HB       THR  70   2.151  -8.114   0.778
  507    HG1  THR  70           HG1      THR  70   4.297  -8.041   1.637
  508   1HG2  THR  70          3HG2      THR  70   2.178 -10.770   0.753
  509   2HG2  THR  70          2HG2      THR  70   3.821 -10.527   1.347
  510   3HG2  THR  70          1HG2      THR  70   2.453  -9.873   2.247
  511    HA   PRO  71           HA       PRO  71   0.405  -6.531  -3.293
  512   1HB   PRO  71          2HB       PRO  71  -2.164  -6.678  -2.376
  513   2HB   PRO  71          1HB       PRO  71  -1.472  -7.818  -3.541
  514   1HG   PRO  71          2HG       PRO  71  -2.093  -8.205  -0.671
  515   2HG   PRO  71          1HG       PRO  71  -2.008  -9.396  -1.977
  516   1HD   PRO  71          2HD       PRO  71  -0.022  -8.909  -0.009
  517   2HD   PRO  71          1HD       PRO  71   0.160  -9.905  -1.472
  518    H    ARG  72           H        ARG  72  -0.772  -6.705   0.073
  519    HA   ARG  72           HA       ARG  72  -1.434  -4.011   0.419
  520   1HB   ARG  72          2HB       ARG  72  -1.716  -6.150   1.980
  521   2HB   ARG  72          1HB       ARG  72  -0.258  -5.492   2.724
  522   1HG   ARG  72          2HG       ARG  72  -1.758  -4.250   3.921
  523   2HG   ARG  72          1HG       ARG  72  -1.728  -3.223   2.488
  524   1HD   ARG  72          2HD       ARG  72  -3.788  -3.937   1.759
  525   2HD   ARG  72          1HD       ARG  72  -3.596  -5.542   2.456
  526    HE   ARG  72           HE       ARG  72  -3.923  -3.340   4.352
  527   1HH1  ARG  72          1HH2      ARG  72  -4.605  -6.513   4.096
  528   2HH1  ARG  72          2HH2      ARG  72  -6.300  -6.421   4.439
  529   1HH2  ARG  72          2HH1      ARG  72  -6.446  -2.970   4.138
  530   2HH2  ARG  72          1HH1      ARG  72  -7.342  -4.416   4.463
  531    H    GLU  73           H        GLU  73   1.672  -5.605   0.474
  532    HA   GLU  73           HA       GLU  73   3.139  -3.596   1.843
  533   1HB   GLU  73          2HB       GLU  73   3.906  -5.969   1.350
  534   2HB   GLU  73          1HB       GLU  73   4.236  -5.424  -0.295
  535   1HG   GLU  73          2HG       GLU  73   6.299  -5.007   0.654
  536   2HG   GLU  73          1HG       GLU  73   5.508  -3.470   1.004
  537    H    LEU  74           H        LEU  74   2.392  -4.157  -1.568
  538    HA   LEU  74           HA       LEU  74   4.003  -2.057  -2.600
  539   1HB   LEU  74          2HB       LEU  74   2.640  -4.092  -3.748
  540   2HB   LEU  74          1HB       LEU  74   1.526  -2.763  -4.069
  541    HG   LEU  74           HG       LEU  74   3.717  -1.498  -4.812
  542   1HD1  LEU  74          2HD1      LEU  74   4.460  -4.429  -4.979
  543   2HD1  LEU  74          1HD1      LEU  74   5.264  -3.182  -5.933
  544   3HD1  LEU  74          3HD1      LEU  74   5.351  -3.137  -4.172
  545   1HD2  LEU  74          3HD2      LEU  74   1.722  -2.249  -6.216
  546   2HD2  LEU  74          2HD2      LEU  74   3.255  -2.133  -7.079
  547   3HD2  LEU  74          1HD2      LEU  74   2.641  -3.709  -6.581
  548    H    LEU  75           H        LEU  75   0.649  -2.230  -1.498
  549    HA   LEU  75           HA       LEU  75  -0.240   0.289  -2.379
  550   1HB   LEU  75          2HB       LEU  75  -1.752  -1.436  -1.456
  551   2HB   LEU  75          1HB       LEU  75  -1.036  -1.211   0.136
  552    HG   LEU  75           HG       LEU  75  -1.710   1.330  -0.288
  553   1HD1  LEU  75          2HD1      LEU  75  -2.609   0.386  -2.635
  554   2HD1  LEU  75          1HD1      LEU  75  -4.048   0.091  -1.657
  555   3HD1  LEU  75          3HD1      LEU  75  -3.396   1.725  -1.799
  556   1HD2  LEU  75          1HD2      LEU  75  -2.534  -0.110   1.542
  557   2HD2  LEU  75          3HD2      LEU  75  -3.840   0.867   0.870
  558   3HD2  LEU  75          2HD2      LEU  75  -3.703  -0.837   0.440
  559    H    ASP  76           H        ASP  76   1.109  -0.641   0.790
  560    HA   ASP  76           HA       ASP  76   1.179   1.980   1.852
  561   1HB   ASP  76          2HB       ASP  76   1.456  -0.333   3.037
  562   2HB   ASP  76          1HB       ASP  76   3.166  -0.115   2.665
  563    H    LEU  77           H        LEU  77   3.293   0.286  -0.332
  564    HA   LEU  77           HA       LEU  77   5.673   1.745   0.097
  565   1HB   LEU  77          2HB       LEU  77   5.076  -0.387  -1.419
  566   2HB   LEU  77          1HB       LEU  77   5.029   0.858  -2.666
  567    HG   LEU  77           HG       LEU  77   7.289   1.644  -1.636
  568   1HD1  LEU  77          2HD1      LEU  77   6.800  -0.186   0.252
  569   2HD1  LEU  77          1HD1      LEU  77   7.640  -1.227  -0.898
  570   3HD1  LEU  77          3HD1      LEU  77   8.444   0.204  -0.254
  571   1HD2  LEU  77          3HD2      LEU  77   6.785  -0.779  -3.346
  572   2HD2  LEU  77          2HD2      LEU  77   7.403   0.803  -3.820
  573   3HD2  LEU  77          1HD2      LEU  77   8.440  -0.322  -2.944
  574    H    ILE  78           H        ILE  78   3.375   2.096  -2.621
  575    HA   ILE  78           HA       ILE  78   4.419   4.553  -3.535
  576    HB   ILE  78           HB       ILE  78   1.635   3.394  -3.860
  577   1HG1  ILE  78          2HG1      ILE  78   2.928   3.119  -6.255
  578   2HG1  ILE  78          1HG1      ILE  78   4.270   2.914  -5.130
  579   1HG2  ILE  78          3HG2      ILE  78   2.963   5.840  -4.925
  580   2HG2  ILE  78          2HG2      ILE  78   1.997   4.897  -6.061
  581   3HG2  ILE  78          1HG2      ILE  78   1.257   5.540  -4.595
  582   1HD1  ILE  78          1HD1      ILE  78   1.832   1.463  -4.341
  583   2HD1  ILE  78          3HD1      ILE  78   2.524   0.921  -5.869
  584   3HD1  ILE  78          2HD1      ILE  78   3.505   0.906  -4.404
  585    H    ASN  79           H        ASN  79   2.003   3.780  -1.133
  586    HA   ASN  79           HA       ASN  79   0.719   6.217  -0.791
  587   1HB   ASN  79          2HB       ASN  79   0.621   3.802   0.477
  588   2HB   ASN  79          1HB       ASN  79   1.365   4.801   1.721
  589   1HD2  ASN  79          2HD2      ASN  79  -2.562   5.171   0.994
  590   2HD2  ASN  79          1HD2      ASN  79  -1.614   3.927   0.334
  591    H    GLY  80           H        GLY  80   3.593   5.046   0.975
  592   1HA   GLY  80          2HA       GLY  80   4.038   7.451   2.406
  593   2HA   GLY  80          1HA       GLY  80   5.217   6.167   2.163
  594    H    ALA  81           H        ALA  81   5.397   6.185  -0.620
  595    HA   ALA  81           HA       ALA  81   7.318   8.171  -1.079
  596   1HB   ALA  81          3HB       ALA  81   5.702   6.500  -3.006
  597   2HB   ALA  81          2HB       ALA  81   6.997   7.581  -3.519
  598   3HB   ALA  81          1HB       ALA  81   7.355   6.221  -2.455
  599    H    LEU  82           H        LEU  82   3.853   8.274  -1.403
  600    HA   LEU  82           HA       LEU  82   3.913  10.709  -3.010
  601   1HB   LEU  82          2HB       LEU  82   1.714   8.950  -1.943
  602   2HB   LEU  82          1HB       LEU  82   1.366  10.548  -2.604
  603    HG   LEU  82           HG       LEU  82   3.134   8.770  -4.215
  604   1HD1  LEU  82          1HD1      LEU  82   1.309   7.261  -3.458
  605   2HD1  LEU  82          3HD1      LEU  82   0.124   8.417  -4.066
  606   3HD1  LEU  82          2HD1      LEU  82   1.209   7.596  -5.188
  607   1HD2  LEU  82          2HD2      LEU  82   2.202  11.206  -4.666
  608   2HD2  LEU  82          1HD2      LEU  82   2.313  10.040  -5.986
  609   3HD2  LEU  82          3HD2      LEU  82   0.764  10.331  -5.192
  610    H    ALA  83           H        ALA  83   3.450   9.702   0.308
  611    HA   ALA  83           HA       ALA  83   2.233  12.028   1.330
  612   1HB   ALA  83          3HB       ALA  83   2.510   9.840   2.553
  613   2HB   ALA  83          2HB       ALA  83   4.203  10.269   2.803
  614   3HB   ALA  83          1HB       ALA  83   2.927  11.269   3.500
  615    H    GLU  84           H        GLU  84   5.562  11.259   0.556
  616    HA   GLU  84           HA       GLU  84   6.743  13.466   1.935
  617   1HB   GLU  84          2HB       GLU  84   7.849  11.292   0.962
  618   2HB   GLU  84          1HB       GLU  84   7.987  12.256  -0.509
  619   1HG   GLU  84          2HG       GLU  84   8.831  13.516   2.066
  620   2HG   GLU  84          1HG       GLU  84   9.893  12.299   1.356
  621    H    ALA  85           H        ALA  85   6.433  12.908  -1.578
  622    HA   ALA  85           HA       ALA  85   6.793  15.699  -2.171
  623   1HB   ALA  85          3HB       ALA  85   7.265  13.541  -3.641
  624   2HB   ALA  85          2HB       ALA  85   5.607  13.821  -4.168
  625   3HB   ALA  85          1HB       ALA  85   6.825  15.075  -4.392
  626    H    ALA  86           HN       ALA  86   4.071  13.516  -2.929
  627    HA   ALA  86           HA       ALA  86   1.804  13.883  -3.037
  628   1HB   ALA  86          1HB       ALA  86   2.365  14.639  -0.603
  629   2HB   ALA  86          3HB       ALA  86   2.117  16.267  -1.236
  630   3HB   ALA  86          2HB       ALA  86   0.809  15.088  -1.302
   
  No H/Q in entry =         630
  Start of MODEL   16
    1   1H    MET   1          2H        MET   1  -0.577  16.407  -8.915
    2   2H    MET   1          1H        MET   1   0.981  16.777  -9.480
    3   3H    MET   1          3H        MET   1   0.673  15.264  -8.779
    4    HA   MET   1           HA       MET   1   1.807  16.539  -7.156
    5   1HB   MET   1          2HB       MET   1   1.228  18.733  -8.293
    6   2HB   MET   1          1HB       MET   1  -0.346  18.641  -7.501
    7   1HG   MET   1          2HG       MET   1   0.704  18.626  -5.306
    8   2HG   MET   1          1HG       MET   1   2.307  18.561  -6.037
    9   1HE   MET   1          2HE       MET   1   3.657  20.231  -6.471
   10   2HE   MET   1          1HE       MET   1   2.940  20.637  -8.028
   11   3HE   MET   1          3HE       MET   1   3.321  21.915  -6.866
   12    H    ALA   2           H        ALA   2  -1.708  17.167  -7.267
   13    HA   ALA   2           HA       ALA   2  -1.980  15.845  -4.651
   14   1HB   ALA   2          3HB       ALA   2  -3.842  17.635  -6.226
   15   2HB   ALA   2          2HB       ALA   2  -4.307  16.817  -4.733
   16   3HB   ALA   2          1HB       ALA   2  -3.011  18.014  -4.717
   17    H    THR   3           H        THR   3  -1.773  13.695  -5.417
   18    HA   THR   3           HA       THR   3  -4.283  12.603  -6.421
   19    HB   THR   3           HB       THR   3  -1.754  11.788  -7.834
   20    HG1  THR   3           HG1      THR   3  -2.321  13.257  -9.446
   21   1HG2  THR   3          3HG2      THR   3  -4.721  11.589  -8.394
   22   2HG2  THR   3          2HG2      THR   3  -3.482  11.182  -9.582
   23   3HG2  THR   3          1HG2      THR   3  -3.599  10.266  -8.079
   24    H    LEU   4           H        LEU   4  -4.531  11.500  -4.510
   25    HA   LEU   4           HA       LEU   4  -2.404   9.590  -3.764
   26   1HB   LEU   4          2HB       LEU   4  -4.660  10.840  -2.201
   27   2HB   LEU   4          1HB       LEU   4  -3.809   9.409  -1.621
   28    HG   LEU   4           HG       LEU   4  -1.672  10.897  -2.212
   29   1HD1  LEU   4          1HD1      LEU   4  -3.975  12.802  -1.939
   30   2HD1  LEU   4          3HD1      LEU   4  -2.395  13.270  -1.308
   31   3HD1  LEU   4          2HD1      LEU   4  -2.582  12.883  -3.018
   32   1HD2  LEU   4          2HD2      LEU   4  -3.428  10.929   0.243
   33   2HD2  LEU   4          1HD2      LEU   4  -1.911  10.064  -0.013
   34   3HD2  LEU   4          3HD2      LEU   4  -1.903  11.814   0.208
   35    H    LEU   5           H        LEU   5  -3.312   7.520  -2.759
   36    HA   LEU   5           HA       LEU   5  -5.815   6.632  -3.969
   37   1HB   LEU   5          2HB       LEU   5  -4.905   4.807  -5.186
   38   2HB   LEU   5          1HB       LEU   5  -3.952   6.209  -5.643
   39    HG   LEU   5           HG       LEU   5  -3.143   4.116  -3.597
   40   1HD1  LEU   5          1HD1      LEU   5  -2.204   4.699  -6.421
   41   2HD1  LEU   5          3HD1      LEU   5  -1.372   3.613  -5.307
   42   3HD1  LEU   5          2HD1      LEU   5  -3.006   3.232  -5.855
   43   1HD2  LEU   5          1HD2      LEU   5  -2.027   6.758  -4.422
   44   2HD2  LEU   5          3HD2      LEU   5  -1.990   5.967  -2.847
   45   3HD2  LEU   5          2HD2      LEU   5  -0.883   5.451  -4.119
   46    H    THR   6           H        THR   6  -6.272   4.290  -3.298
   47    HA   THR   6           HA       THR   6  -5.193   3.782  -0.595
   48    HB   THR   6           HB       THR   6  -7.454   4.932  -0.580
   49    HG1  THR   6           HG1      THR   6  -7.725   3.935   1.219
   50   1HG2  THR   6          1HG2      THR   6  -8.072   2.973  -2.505
   51   2HG2  THR   6          3HG2      THR   6  -8.981   2.524  -1.062
   52   3HG2  THR   6          2HG2      THR   6  -9.182   4.128  -1.766
   53    H    THR   7           H        THR   7  -6.353   1.479   0.091
   54    HA   THR   7           HA       THR   7  -5.021  -0.518  -1.322
   55    HB   THR   7           HB       THR   7  -7.545  -0.844   0.320
   56    HG1  THR   7           HG1      THR   7  -5.943  -1.257   1.984
   57   1HG2  THR   7          3HG2      THR   7  -6.669  -2.776  -1.118
   58   2HG2  THR   7          2HG2      THR   7  -5.270  -2.788  -0.046
   59   3HG2  THR   7          1HG2      THR   7  -6.880  -3.100   0.602
   60    H    ASP   8           H        ASP   8  -8.256   0.777  -1.705
   61    HA   ASP   8           HA       ASP   8  -9.388  -1.116  -3.426
   62   1HB   ASP   8          2HB       ASP   8  -9.757   1.886  -3.326
   63   2HB   ASP   8          1HB       ASP   8 -10.746   0.811  -4.313
   64    H    ASP   9           H        ASP   9  -7.360   1.707  -4.130
   65    HA   ASP   9           HA       ASP   9  -7.345   1.475  -6.949
   66   1HB   ASP   9          2HB       ASP   9  -6.259   3.267  -5.169
   67   2HB   ASP   9          1HB       ASP   9  -4.824   2.406  -5.717
   68    H    LEU  10           H        LEU  10  -5.483  -0.039  -4.388
   69    HA   LEU  10           HA       LEU  10  -3.375  -1.210  -5.771
   70   1HB   LEU  10          2HB       LEU  10  -4.155  -1.329  -3.225
   71   2HB   LEU  10          1HB       LEU  10  -4.835  -2.863  -3.752
   72    HG   LEU  10           HG       LEU  10  -1.928  -2.006  -3.899
   73   1HD1  LEU  10          2HD1      LEU  10  -2.875  -2.843  -1.716
   74   2HD1  LEU  10          1HD1      LEU  10  -3.253  -4.365  -2.529
   75   3HD1  LEU  10          3HD1      LEU  10  -1.574  -3.843  -2.364
   76   1HD2  LEU  10          3HD2      LEU  10  -3.291  -4.491  -4.998
   77   2HD2  LEU  10          2HD2      LEU  10  -2.435  -3.263  -5.932
   78   3HD2  LEU  10          1HD2      LEU  10  -1.545  -4.312  -4.826
   79    H    ARG  11           H        ARG  11  -6.443  -2.824  -4.962
   80    HA   ARG  11           HA       ARG  11  -6.106  -5.114  -6.515
   81   1HB   ARG  11          2HB       ARG  11  -8.000  -4.345  -4.803
   82   2HB   ARG  11          1HB       ARG  11  -8.850  -3.976  -6.302
   83   1HG   ARG  11          2HG       ARG  11  -8.340  -6.295  -7.102
   84   2HG   ARG  11          1HG       ARG  11  -7.650  -6.646  -5.517
   85   1HD   ARG  11          2HD       ARG  11  -9.852  -7.408  -5.285
   86   2HD   ARG  11          1HD       ARG  11  -9.933  -5.790  -4.597
   87    HE   ARG  11           HE       ARG  11 -10.546  -5.878  -7.424
   88   1HH1  ARG  11          2HH1      ARG  11 -12.173  -7.553  -5.118
   89   2HH1  ARG  11          1HH1      ARG  11 -13.620  -6.601  -5.124
   90   1HH2  ARG  11          1HH2      ARG  11 -12.253  -4.054  -7.038
   91   2HH2  ARG  11          2HH2      ARG  11 -13.665  -4.619  -6.211
   92    H    ARG  12           H        ARG  12  -8.002  -2.219  -7.373
   93    HA   ARG  12           HA       ARG  12  -8.719  -2.961  -9.956
   94   1HB   ARG  12          2HB       ARG  12  -8.311  -0.300  -8.636
   95   2HB   ARG  12          1HB       ARG  12  -8.695  -0.389 -10.356
   96   1HG   ARG  12          2HG       ARG  12 -10.560  -2.084  -9.467
   97   2HG   ARG  12          1HG       ARG  12 -10.373  -1.125  -7.997
   98   1HD   ARG  12          2HD       ARG  12 -10.611   0.336 -10.589
   99   2HD   ARG  12          1HD       ARG  12 -12.067  -0.404  -9.932
  100    HE   ARG  12           HE       ARG  12 -10.789   1.059  -7.880
  101   1HH1  ARG  12          2HH1      ARG  12 -10.962   2.513 -10.783
  102   2HH1  ARG  12          1HH1      ARG  12 -12.237   3.628 -10.420
  103   1HH2  ARG  12          1HH2      ARG  12 -13.102   2.080  -7.441
  104   2HH2  ARG  12          2HH2      ARG  12 -13.448   3.383  -8.528
  105    H    ALA  13           H        ALA  13  -5.605  -1.965  -8.801
  106    HA   ALA  13           HA       ALA  13  -4.623  -1.173 -11.412
  107   1HB   ALA  13          1HB       ALA  13  -3.735  -0.132  -9.351
  108   2HB   ALA  13          3HB       ALA  13  -3.096  -1.700  -8.852
  109   3HB   ALA  13          2HB       ALA  13  -2.466  -0.910 -10.298
  110    H    LEU  14           H        LEU  14  -4.403  -3.981  -9.283
  111    HA   LEU  14           HA       LEU  14  -2.492  -5.377 -10.906
  112   1HB   LEU  14          2HB       LEU  14  -4.164  -6.028  -8.525
  113   2HB   LEU  14          1HB       LEU  14  -3.527  -7.368  -9.477
  114    HG   LEU  14           HG       LEU  14  -1.681  -5.128  -8.731
  115   1HD1  LEU  14          2HD1      LEU  14  -3.045  -5.987  -6.689
  116   2HD1  LEU  14          1HD1      LEU  14  -2.115  -7.472  -6.887
  117   3HD1  LEU  14          3HD1      LEU  14  -1.286  -5.951  -6.560
  118   1HD2  LEU  14          2HD2      LEU  14  -1.190  -7.190 -10.252
  119   2HD2  LEU  14          1HD2      LEU  14  -0.013  -6.770  -9.007
  120   3HD2  LEU  14          3HD2      LEU  14  -1.143  -8.096  -8.738
  121    H    VAL  15           H        VAL  15  -5.952  -5.042 -10.953
  122    HA   VAL  15           HA       VAL  15  -6.316  -7.382 -12.661
  123    HB   VAL  15           HB       VAL  15  -8.371  -5.318 -11.840
  124   1HG1  VAL  15          3HG1      VAL  15  -8.391  -7.927 -13.290
  125   2HG1  VAL  15          2HG1      VAL  15  -9.730  -7.600 -12.191
  126   3HG1  VAL  15          1HG1      VAL  15  -9.401  -6.501 -13.531
  127   1HG2  VAL  15          3HG2      VAL  15  -7.173  -7.639 -10.411
  128   2HG2  VAL  15          2HG2      VAL  15  -7.894  -6.169  -9.759
  129   3HG2  VAL  15          1HG2      VAL  15  -8.927  -7.482 -10.320
  130    H    GLU  16           H        GLU  16  -6.156  -3.890 -12.870
  131    HA   GLU  16           HA       GLU  16  -7.291  -3.499 -15.405
  132   1HB   GLU  16          2HB       GLU  16  -5.289  -2.012 -13.758
  133   2HB   GLU  16          1HB       GLU  16  -5.505  -1.552 -15.448
  134   1HG   GLU  16          2HG       GLU  16  -7.975  -1.969 -13.830
  135   2HG   GLU  16          1HG       GLU  16  -7.025  -0.522 -13.488
  136    H    CYS  17           H        CYS  17  -4.224  -4.866 -14.485
  137    HA   CYS  17           HA       CYS  17  -3.109  -4.599 -17.168
  138   1HB   CYS  17          2HB       CYS  17  -2.099  -5.577 -14.530
  139   2HB   CYS  17          1HB       CYS  17  -1.309  -6.143 -16.000
  140    HG   CYS  17           HG       CYS  17  -1.508  -3.218 -16.305
  141    H    ALA  18           H        ALA  18  -4.435  -7.093 -15.046
  142    HA   ALA  18           HA       ALA  18  -3.804  -9.346 -16.610
  143   1HB   ALA  18          2HB       ALA  18  -4.660  -9.480 -14.287
  144   2HB   ALA  18          1HB       ALA  18  -6.241  -8.948 -14.858
  145   3HB   ALA  18          3HB       ALA  18  -5.581 -10.494 -15.397
  146    H    GLY  19           H        GLY  19  -7.033  -7.860 -16.328
  147   1HA   GLY  19          2HA       GLY  19  -7.680  -7.228 -18.867
  148   2HA   GLY  19          1HA       GLY  19  -7.825  -8.984 -18.885
  149    H    GLU  20           H        GLU  20  -9.513  -9.977 -17.827
  150    HA   GLU  20           HA       GLU  20 -11.604  -8.158 -16.791
  151   1HB   GLU  20          2HB       GLU  20 -11.932  -9.741 -18.896
  152   2HB   GLU  20          1HB       GLU  20 -12.236 -10.949 -17.647
  153   1HG   GLU  20          2HG       GLU  20 -14.372 -10.118 -17.833
  154   2HG   GLU  20          1HG       GLU  20 -13.745  -8.959 -16.661
  155    H    THR  21           H        THR  21 -10.536 -11.548 -16.462
  156    HA   THR  21           HA       THR  21 -10.090 -11.446 -13.685
  157    HB   THR  21           HB       THR  21 -12.478 -11.118 -13.425
  158    HG1  THR  21           HG1      THR  21 -11.620 -12.500 -11.927
  159   1HG2  THR  21          3HG2      THR  21 -12.821 -12.331 -15.776
  160   2HG2  THR  21          2HG2      THR  21 -13.110 -13.725 -14.736
  161   3HG2  THR  21          1HG2      THR  21 -14.108 -12.280 -14.571
  162    H    ASP  22           H        ASP  22  -8.626 -12.987 -13.487
  163    HA   ASP  22           HA       ASP  22  -8.789 -15.365 -15.208
  164   1HB   ASP  22          2HB       ASP  22  -6.456 -15.782 -14.428
  165   2HB   ASP  22          1HB       ASP  22  -6.645 -14.231 -15.246
  166    H    GLY  23           H        GLY  23 -10.497 -14.916 -12.796
  167   1HA   GLY  23          2HA       GLY  23 -11.371 -16.849 -11.590
  168   2HA   GLY  23          1HA       GLY  23  -9.707 -17.360 -11.327
  169    H    THR  24           H        THR  24  -8.384 -16.146  -9.874
  170    HA   THR  24           HA       THR  24  -7.939 -15.048  -7.911
  171    HB   THR  24           HB       THR  24 -10.419 -13.416  -8.069
  172    HG1  THR  24           HG1      THR  24  -9.991 -12.698  -9.980
  173   1HG2  THR  24          2HG2      THR  24  -7.515 -13.043  -7.382
  174   2HG2  THR  24          1HG2      THR  24  -8.537 -11.647  -7.720
  175   3HG2  THR  24          3HG2      THR  24  -8.934 -12.730  -6.385
  176    H    ASP  25           H        ASP  25  -8.242 -15.690  -5.889
  177    HA   ASP  25           HA       ASP  25 -10.949 -16.518  -5.043
  178   1HB   ASP  25          2HB       ASP  25  -9.376 -18.462  -5.666
  179   2HB   ASP  25          1HB       ASP  25  -8.478 -18.027  -4.211
  180    H    LEU  26           H        LEU  26  -9.544 -14.053  -4.570
  181    HA   LEU  26           HA       LEU  26  -9.478 -14.153  -1.633
  182   1HB   LEU  26          2HB       LEU  26  -7.480 -12.685  -1.600
  183   2HB   LEU  26          1HB       LEU  26  -7.134 -14.263  -2.294
  184    HG   LEU  26           HG       LEU  26  -8.027 -12.216  -4.238
  185   1HD1  LEU  26          2HD1      LEU  26  -5.878 -11.630  -2.364
  186   2HD1  LEU  26          1HD1      LEU  26  -5.261 -11.730  -4.011
  187   3HD1  LEU  26          3HD1      LEU  26  -6.561 -10.604  -3.625
  188   1HD2  LEU  26          1HD2      LEU  26  -7.128 -14.641  -4.581
  189   2HD2  LEU  26          3HD2      LEU  26  -6.555 -13.372  -5.663
  190   3HD2  LEU  26          2HD2      LEU  26  -5.541 -13.915  -4.328
  191    H    SER  27           H        SER  27 -11.680 -13.304  -2.399
  192    HA   SER  27           HA       SER  27 -11.745 -10.583  -3.355
  193   1HB   SER  27          2HB       SER  27 -13.842 -12.535  -2.463
  194   2HB   SER  27          1HB       SER  27 -14.241 -10.841  -2.738
  195    HG   SER  27           HG       SER  27 -13.696 -11.049  -4.842
  196    H    GLY  28           H        GLY  28 -11.746 -12.152  -0.275
  197   1HA   GLY  28          2HA       GLY  28 -12.911 -10.104   1.297
  198   2HA   GLY  28          1HA       GLY  28 -11.805 -11.341   1.888
  199    H    ASP  29           H        ASP  29 -10.026 -10.540   2.783
  200    HA   ASP  29           HA       ASP  29  -9.218  -7.854   2.664
  201   1HB   ASP  29          2HB       ASP  29  -8.509  -9.900   4.237
  202   2HB   ASP  29          1HB       ASP  29  -7.132  -9.924   3.135
  203    H    PHE  30           H        PHE  30  -8.670 -10.478   0.480
  204    HA   PHE  30           HA       PHE  30  -7.355 -10.779  -1.347
  205   1HB   PHE  30          2HB       PHE  30  -8.027  -9.417  -3.037
  206   2HB   PHE  30          1HB       PHE  30  -9.146  -8.856  -1.812
  207    HD1  PHE  30           HD1      PHE  30  -8.635  -6.712  -0.560
  208    HD2  PHE  30           HD2      PHE  30  -6.364  -7.991  -3.971
  209    HE1  PHE  30           HE1      PHE  30  -7.770  -4.414  -0.848
  210    HE2  PHE  30           HE2      PHE  30  -5.490  -5.703  -4.252
  211    HZ   PHE  30           HZ       PHE  30  -6.188  -3.902  -2.691
  212    H    LEU  31           H        LEU  31  -5.886  -9.932   1.074
  213    HA   LEU  31           HA       LEU  31  -3.441  -9.082  -0.321
  214   1HB   LEU  31          2HB       LEU  31  -4.455  -7.931   2.290
  215   2HB   LEU  31          1HB       LEU  31  -2.843  -7.650   1.628
  216    HG   LEU  31           HG       LEU  31  -5.332  -7.080   0.016
  217   1HD1  LEU  31          3HD1      LEU  31  -5.116  -5.835   2.318
  218   2HD1  LEU  31          2HD1      LEU  31  -3.845  -4.931   1.494
  219   3HD1  LEU  31          1HD1      LEU  31  -5.493  -4.915   0.861
  220   1HD2  LEU  31          3HD2      LEU  31  -2.399  -6.585  -0.190
  221   2HD2  LEU  31          2HD2      LEU  31  -3.570  -6.944  -1.460
  222   3HD2  LEU  31          1HD2      LEU  31  -3.468  -5.316  -0.787
  223    H    ASP  32           H        ASP  32  -3.291 -11.484  -0.180
  224    HA   ASP  32           HA       ASP  32  -1.619 -12.197   2.073
  225   1HB   ASP  32          2HB       ASP  32  -4.339 -13.422   1.675
  226   2HB   ASP  32          1HB       ASP  32  -3.031 -14.343   2.417
  227    H    LEU  33           H        LEU  33  -3.426 -13.387  -0.751
  228    HA   LEU  33           HA       LEU  33  -0.987 -14.835  -1.586
  229   1HB   LEU  33          2HB       LEU  33  -3.856 -15.777  -1.730
  230   2HB   LEU  33          1HB       LEU  33  -2.538 -16.536  -2.622
  231    HG   LEU  33           HG       LEU  33  -1.408 -16.492  -0.187
  232   1HD1  LEU  33          1HD1      LEU  33  -3.567 -15.392   0.676
  233   2HD1  LEU  33          3HD1      LEU  33  -4.321 -16.970   0.454
  234   3HD1  LEU  33          2HD1      LEU  33  -2.973 -16.788   1.576
  235   1HD2  LEU  33          2HD2      LEU  33  -3.380 -18.496  -1.315
  236   2HD2  LEU  33          1HD2      LEU  33  -1.621 -18.521  -1.451
  237   3HD2  LEU  33          3HD2      LEU  33  -2.390 -18.827   0.107
  238    H    ARG  34           H        ARG  34  -1.713 -12.193  -2.340
  239    HA   ARG  34           HA       ARG  34  -2.976 -12.286  -4.939
  240   1HB   ARG  34          2HB       ARG  34  -3.143 -10.285  -3.475
  241   2HB   ARG  34          1HB       ARG  34  -1.407 -10.036  -3.650
  242   1HG   ARG  34          2HG       ARG  34  -2.535  -8.608  -5.251
  243   2HG   ARG  34          1HG       ARG  34  -1.741  -9.907  -6.140
  244   1HD   ARG  34          2HD       ARG  34  -4.557 -10.339  -5.243
  245   2HD   ARG  34          1HD       ARG  34  -4.283  -9.260  -6.606
  246    HE   ARG  34           HE       ARG  34  -2.905 -11.789  -6.854
  247   1HH1  ARG  34          1HH2      ARG  34  -4.908  -9.686  -8.449
  248   2HH1  ARG  34          2HH2      ARG  34  -5.896 -10.883  -9.220
  249   1HH2  ARG  34          2HH1      ARG  34  -4.602 -13.522  -7.381
  250   2HH2  ARG  34          1HH1      ARG  34  -5.722 -13.053  -8.617
  251    H    PHE  35           H        PHE  35   0.254 -11.090  -3.987
  252    HA   PHE  35           HA       PHE  35   1.350 -11.331  -6.582
  253   1HB   PHE  35          2HB       PHE  35   2.523 -10.980  -3.841
  254   2HB   PHE  35          1HB       PHE  35   3.582 -11.316  -5.212
  255    HD1  PHE  35           HD2      PHE  35   0.482  -9.247  -4.726
  256    HD2  PHE  35           HD1      PHE  35   4.573  -9.366  -6.050
  257    HE1  PHE  35           HE2      PHE  35   0.330  -6.873  -5.428
  258    HE2  PHE  35           HE1      PHE  35   4.412  -6.999  -6.743
  259    HZ   PHE  35           HZ       PHE  35   2.299  -5.754  -6.437
  260    H    GLU  36           H        GLU  36   1.510 -13.449  -3.736
  261    HA   GLU  36           HA       GLU  36   2.997 -15.464  -5.222
  262   1HB   GLU  36          2HB       GLU  36   2.834 -16.771  -3.107
  263   2HB   GLU  36          1HB       GLU  36   3.564 -15.183  -2.881
  264   1HG   GLU  36          2HG       GLU  36   0.728 -14.891  -2.590
  265   2HG   GLU  36          1HG       GLU  36   1.234 -16.263  -1.607
  266    H    ASP  37           H        ASP  37   1.275 -15.647  -6.850
  267    HA   ASP  37           HA       ASP  37  -0.764 -17.604  -5.990
  268   1HB   ASP  37          2HB       ASP  37  -1.531 -15.130  -6.588
  269   2HB   ASP  37          1HB       ASP  37  -1.396 -15.745  -8.236
  270    H    ILE  38           H        ILE  38   0.393 -16.123  -9.028
  271    HA   ILE  38           HA       ILE  38   0.396 -18.767 -10.280
  272    HB   ILE  38           HB       ILE  38   0.695 -17.590 -12.383
  273   1HG1  ILE  38          2HG1      ILE  38   0.863 -15.032 -10.756
  274   2HG1  ILE  38          1HG1      ILE  38   2.265 -15.832 -11.464
  275   1HG2  ILE  38          3HG2      ILE  38  -1.535 -17.524 -10.914
  276   2HG2  ILE  38          2HG2      ILE  38  -1.215 -15.788 -10.962
  277   3HG2  ILE  38          1HG2      ILE  38  -1.429 -16.689 -12.465
  278   1HD1  ILE  38          1HD1      ILE  38   1.133 -15.672 -13.707
  279   2HD1  ILE  38          3HD1      ILE  38  -0.118 -14.691 -12.944
  280   3HD1  ILE  38          2HD1      ILE  38   1.546 -14.109 -13.001
  281    H    GLY  39           H        GLY  39   2.595 -16.254  -9.242
  282   1HA   GLY  39          2HA       GLY  39   4.806 -17.342  -8.518
  283   2HA   GLY  39          1HA       GLY  39   4.898 -17.830 -10.208
  284    H    TYR  40           H        TYR  40   3.800 -14.775  -8.750
  285    HA   TYR  40           HA       TYR  40   5.166 -13.166 -10.668
  286   1HB   TYR  40          2HB       TYR  40   3.708 -12.632  -8.104
  287   2HB   TYR  40          1HB       TYR  40   4.698 -11.360  -8.808
  288    HD1  TYR  40           HD1      TYR  40   1.975 -13.794  -9.682
  289    HD2  TYR  40           HD2      TYR  40   3.852 -10.020 -10.528
  290    HE1  TYR  40           HE1      TYR  40   0.161 -13.245 -11.280
  291    HE2  TYR  40           HE2      TYR  40   2.036  -9.476 -12.127
  292    HH   TYR  40           HH       TYR  40  -0.486 -10.246 -12.372
  293    H    ASP  41           H        ASP  41   7.361 -13.806 -10.621
  294    HA   ASP  41           HA       ASP  41   8.912 -13.926  -8.262
  295   1HB   ASP  41          2HB       ASP  41  10.875 -13.866  -9.733
  296   2HB   ASP  41          1HB       ASP  41   9.657 -14.976 -10.352
  297    H    SER  42           H        SER  42   8.481 -11.333 -10.657
  298    HA   SER  42           HA       SER  42   8.368  -9.147  -9.050
  299   1HB   SER  42          2HB       SER  42  10.466  -9.525  -7.966
  300   2HB   SER  42          1HB       SER  42  11.267  -9.914  -9.485
  301    HG   SER  42           HG       SER  42  10.223  -7.403  -8.653
  302    H    LEU  43           H        LEU  43  10.116 -10.420 -11.847
  303    HA   LEU  43           HA       LEU  43  10.290  -8.058 -13.354
  304   1HB   LEU  43          2HB       LEU  43  11.214 -10.526 -13.754
  305   2HB   LEU  43          1HB       LEU  43   9.780 -10.626 -14.776
  306    HG   LEU  43           HG       LEU  43  10.559  -8.371 -15.764
  307   1HD1  LEU  43          3HD1      LEU  43  13.086  -9.316 -14.380
  308   2HD1  LEU  43          2HD1      LEU  43  13.047  -8.071 -15.628
  309   3HD1  LEU  43          1HD1      LEU  43  12.227  -7.803 -14.089
  310   1HD2  LEU  43          1HD2      LEU  43  12.021 -10.990 -16.177
  311   2HD2  LEU  43          3HD2      LEU  43  10.677 -10.344 -17.117
  312   3HD2  LEU  43          2HD2      LEU  43  12.269  -9.593 -17.223
  313    H    ALA  44           H        ALA  44   7.709 -10.466 -13.110
  314    HA   ALA  44           HA       ALA  44   6.068  -9.535 -15.192
  315   1HB   ALA  44          1HB       ALA  44   5.347 -10.894 -12.588
  316   2HB   ALA  44          3HB       ALA  44   4.203 -10.609 -13.899
  317   3HB   ALA  44          2HB       ALA  44   5.596 -11.660 -14.156
  318    H    LEU  45           H        LEU  45   5.733  -8.893 -11.698
  319    HA   LEU  45           HA       LEU  45   3.808  -6.818 -12.085
  320   1HB   LEU  45          2HB       LEU  45   4.145  -6.369  -9.670
  321   2HB   LEU  45          1HB       LEU  45   3.833  -8.066 -10.019
  322    HG   LEU  45           HG       LEU  45   6.588  -7.925 -10.205
  323   1HD1  LEU  45          2HD1      LEU  45   5.970  -5.545  -9.024
  324   2HD1  LEU  45          1HD1      LEU  45   6.130  -6.585  -7.608
  325   3HD1  LEU  45          3HD1      LEU  45   7.474  -6.421  -8.738
  326   1HD2  LEU  45          2HD2      LEU  45   4.587  -8.857  -8.217
  327   2HD2  LEU  45          1HD2      LEU  45   5.877  -9.753  -9.017
  328   3HD2  LEU  45          3HD2      LEU  45   6.245  -8.727  -7.631
  329    H    MET  46           H        MET  46   7.153  -6.822 -12.561
  330    HA   MET  46           HA       MET  46   7.772  -4.196 -11.609
  331   1HB   MET  46          2HB       MET  46   9.491  -5.973 -12.077
  332   2HB   MET  46          1HB       MET  46   9.189  -5.734 -13.797
  333   1HG   MET  46          2HG       MET  46   9.611  -3.200 -13.221
  334   2HG   MET  46          1HG       MET  46  10.448  -3.861 -11.817
  335   1HE   MET  46          2HE       MET  46  12.659  -3.373 -12.011
  336   2HE   MET  46          1HE       MET  46  13.712  -3.470 -13.420
  337   3HE   MET  46          3HE       MET  46  12.426  -2.256 -13.354
  338    H    GLU  47           H        GLU  47   6.512  -5.534 -14.591
  339    HA   GLU  47           HA       GLU  47   6.833  -3.097 -16.106
  340   1HB   GLU  47          2HB       GLU  47   6.660  -5.541 -16.992
  341   2HB   GLU  47          1HB       GLU  47   4.920  -5.294 -16.841
  342   1HG   GLU  47          2HG       GLU  47   4.910  -3.532 -18.408
  343   2HG   GLU  47          1HG       GLU  47   6.650  -3.277 -18.263
  344    H    THR  48           H        THR  48   4.357  -4.571 -14.121
  345    HA   THR  48           HA       THR  48   2.173  -2.967 -14.997
  346    HB   THR  48           HB       THR  48   2.541  -4.266 -12.288
  347    HG1  THR  48           HG1      THR  48   2.769  -5.844 -13.800
  348   1HG2  THR  48          1HG2      THR  48   0.368  -2.817 -13.623
  349   2HG2  THR  48          3HG2      THR  48  -0.115  -4.414 -13.052
  350   3HG2  THR  48          2HG2      THR  48   0.559  -3.241 -11.921
  351    H    ALA  49           H        ALA  49   4.463  -2.695 -12.295
  352    HA   ALA  49           HA       ALA  49   3.329  -0.309 -11.220
  353   1HB   ALA  49          1HB       ALA  49   4.945  -1.985 -10.087
  354   2HB   ALA  49          3HB       ALA  49   6.220  -1.079 -10.902
  355   3HB   ALA  49          2HB       ALA  49   5.159  -0.268  -9.750
  356    H    ALA  50           H        ALA  50   6.318  -0.862 -13.085
  357    HA   ALA  50           HA       ALA  50   7.072   1.794 -13.445
  358   1HB   ALA  50          3HB       ALA  50   7.487  -0.636 -15.185
  359   2HB   ALA  50          2HB       ALA  50   8.195   0.934 -15.565
  360   3HB   ALA  50          1HB       ALA  50   8.629   0.110 -14.066
  361    H    ARG  51           H        ARG  51   4.605  -0.068 -15.073
  362    HA   ARG  51           HA       ARG  51   4.273   1.691 -17.305
  363   1HB   ARG  51          2HB       ARG  51   2.719  -0.567 -16.117
  364   2HB   ARG  51          1HB       ARG  51   1.899   0.517 -17.240
  365   1HG   ARG  51          2HG       ARG  51   4.586  -0.676 -17.911
  366   2HG   ARG  51          1HG       ARG  51   3.091  -1.554 -18.236
  367   1HD   ARG  51          2HD       ARG  51   2.380  -0.028 -19.832
  368   2HD   ARG  51          1HD       ARG  51   3.300   1.295 -19.126
  369    HE   ARG  51           HE       ARG  51   5.316  -0.117 -20.006
  370   1HH1  ARG  51          1HH2      ARG  51   3.970  -2.065 -21.653
  371   2HH1  ARG  51          2HH2      ARG  51   3.767  -1.283 -23.185
  372   1HH2  ARG  51          2HH1      ARG  51   4.291   1.905 -21.927
  373   2HH2  ARG  51          1HH1      ARG  51   3.947   0.964 -23.340
  374    H    LEU  52           H        LEU  52   2.537   1.262 -14.229
  375    HA   LEU  52           HA       LEU  52   0.952   3.663 -14.738
  376   1HB   LEU  52          2HB       LEU  52   0.882   1.469 -12.703
  377   2HB   LEU  52          1HB       LEU  52   0.105   3.010 -12.337
  378    HG   LEU  52           HG       LEU  52  -0.408   1.476 -14.896
  379   1HD1  LEU  52          2HD1      LEU  52  -1.050   0.241 -12.744
  380   2HD1  LEU  52          1HD1      LEU  52  -2.204   1.545 -12.463
  381   3HD1  LEU  52          3HD1      LEU  52  -2.355   0.528 -13.897
  382   1HD2  LEU  52          2HD2      LEU  52  -1.598   3.877 -13.514
  383   2HD2  LEU  52          1HD2      LEU  52  -1.074   3.716 -15.191
  384   3HD2  LEU  52          3HD2      LEU  52  -2.559   2.931 -14.651
  385    H    GLU  53           H        GLU  53   4.024   3.409 -13.873
  386    HA   GLU  53           HA       GLU  53   3.951   5.081 -11.479
  387   1HB   GLU  53          2HB       GLU  53   6.100   3.648 -12.995
  388   2HB   GLU  53          1HB       GLU  53   6.534   4.977 -11.919
  389   1HG   GLU  53          2HG       GLU  53   4.637   2.933 -10.862
  390   2HG   GLU  53          1HG       GLU  53   6.325   2.454 -11.037
  391    H    SER  54           H        SER  54   3.221   5.904 -14.438
  392    HA   SER  54           HA       SER  54   5.072   8.178 -14.685
  393   1HB   SER  54          2HB       SER  54   2.927   7.295 -16.625
  394   2HB   SER  54          1HB       SER  54   4.221   8.453 -16.921
  395    HG   SER  54           HG       SER  54   5.114   6.662 -17.670
  396    H    ARG  55           H        ARG  55   1.578   7.489 -14.817
  397    HA   ARG  55           HA       ARG  55   0.693  10.152 -14.739
  398   1HB   ARG  55          2HB       ARG  55  -1.445   9.155 -13.799
  399   2HB   ARG  55          1HB       ARG  55  -0.896   8.476 -15.331
  400   1HG   ARG  55          2HG       ARG  55  -0.353   6.450 -14.396
  401   2HG   ARG  55          1HG       ARG  55   0.120   7.169 -12.857
  402   1HD   ARG  55          2HD       ARG  55  -2.404   7.704 -12.579
  403   2HD   ARG  55          1HD       ARG  55  -2.646   6.516 -13.855
  404    HE   ARG  55           HE       ARG  55  -0.997   5.566 -11.670
  405   1HH1  ARG  55          1HH1      ARG  55  -4.889   5.059 -11.319
  406   2HH1  ARG  55          2HH1      ARG  55  -4.195   6.584 -11.756
  407   1HH2  ARG  55          1HH2      ARG  55  -1.904   3.317 -11.594
  408   2HH2  ARG  55          2HH2      ARG  55  -3.593   3.210 -11.228
  409    H    TYR  56           H        TYR  56   1.799   8.024 -12.199
  410    HA   TYR  56           HA       TYR  56   0.840   9.798 -10.088
  411   1HB   TYR  56          2HB       TYR  56   2.118   7.105 -10.198
  412   2HB   TYR  56          1HB       TYR  56   2.357   8.066  -8.738
  413    HD1  TYR  56           HD1      TYR  56  -0.570   7.733 -11.077
  414    HD2  TYR  56           HD2      TYR  56   0.922   7.268  -7.073
  415    HE1  TYR  56           HE1      TYR  56  -2.844   7.126 -10.298
  416    HE2  TYR  56           HE2      TYR  56  -1.353   6.664  -6.298
  417    HH   TYR  56           HH       TYR  56  -4.070   7.296  -7.901
  418    H    GLY  57           H        GLY  57   3.793   9.022 -11.799
  419   1HA   GLY  57          2HA       GLY  57   5.863  10.025 -11.828
  420   2HA   GLY  57          1HA       GLY  57   5.076  11.437 -11.132
  421    H    VAL  58           H        VAL  58   4.941   8.369  -9.482
  422    HA   VAL  58           HA       VAL  58   6.374   9.508  -7.228
  423    HB   VAL  58           HB       VAL  58   4.295   8.236  -6.868
  424   1HG1  VAL  58          2HG1      VAL  58   5.281   6.528  -8.811
  425   2HG1  VAL  58          1HG1      VAL  58   5.490   5.595  -7.330
  426   3HG1  VAL  58          3HG1      VAL  58   3.895   6.201  -7.773
  427   1HG2  VAL  58          2HG2      VAL  58   6.264   8.262  -5.218
  428   2HG2  VAL  58          1HG2      VAL  58   5.048   7.003  -4.994
  429   3HG2  VAL  58          3HG2      VAL  58   6.587   6.616  -5.766
  430    H    SER  59           H        SER  59   8.080   8.270  -6.145
  431    HA   SER  59           HA       SER  59  10.225   7.657  -7.857
  432   1HB   SER  59          2HB       SER  59  11.080   6.461  -5.660
  433   2HB   SER  59          1HB       SER  59  10.960   8.216  -5.740
  434    HG   SER  59           HG       SER  59   9.857   7.740  -3.944
  435    H    ILE  60           H        ILE  60  11.312   5.627  -8.195
  436    HA   ILE  60           HA       ILE  60   9.568   3.260  -7.934
  437    HB   ILE  60           HB       ILE  60   9.378   4.072 -10.237
  438   1HG1  ILE  60          2HG1      ILE  60  10.206   2.018 -11.407
  439   2HG1  ILE  60          1HG1      ILE  60  11.086   1.581  -9.942
  440   1HG2  ILE  60          2HG2      ILE  60  11.822   5.079 -10.038
  441   2HG2  ILE  60          1HG2      ILE  60  12.276   3.527 -10.742
  442   3HG2  ILE  60          3HG2      ILE  60  11.169   4.595 -11.603
  443   1HD1  ILE  60          2HD1      ILE  60   8.099   2.080 -10.010
  444   2HD1  ILE  60          1HD1      ILE  60   8.823   0.479 -10.161
  445   3HD1  ILE  60          3HD1      ILE  60   9.038   1.407  -8.677
  446    HA   PRO  61           HA       PRO  61  13.751   2.194  -6.384
  447   1HB   PRO  61          2HB       PRO  61  12.897   0.901  -4.135
  448   2HB   PRO  61          1HB       PRO  61  13.158   2.649  -4.222
  449   1HG   PRO  61          2HG       PRO  61  10.621   1.135  -4.131
  450   2HG   PRO  61          1HG       PRO  61  10.958   2.802  -3.643
  451   1HD   PRO  61          2HD       PRO  61   9.704   1.953  -6.057
  452   2HD   PRO  61          1HD       PRO  61  10.230   3.604  -5.651
  453    H    ASP  62           H        ASP  62  14.494   0.564  -7.645
  454    HA   ASP  62           HA       ASP  62  13.008  -1.771  -8.303
  455   1HB   ASP  62          2HB       ASP  62  15.839  -0.882  -8.698
  456   2HB   ASP  62          1HB       ASP  62  15.416  -2.569  -8.993
  457    H    ASP  63           H        ASP  63  14.972  -0.952  -5.580
  458    HA   ASP  63           HA       ASP  63  15.821  -3.573  -4.868
  459   1HB   ASP  63          2HB       ASP  63  15.601  -0.959  -3.412
  460   2HB   ASP  63          1HB       ASP  63  15.953  -2.439  -2.519
  461    H    VAL  64           H        VAL  64  13.517  -1.564  -3.038
  462    HA   VAL  64           HA       VAL  64  12.330  -3.794  -1.752
  463    HB   VAL  64           HB       VAL  64  12.316  -1.516  -0.802
  464   1HG1  VAL  64          3HG1      VAL  64  11.805  -0.444  -3.083
  465   2HG1  VAL  64          2HG1      VAL  64  10.119  -0.847  -2.758
  466   3HG1  VAL  64          1HG1      VAL  64  10.990   0.239  -1.676
  467   1HG2  VAL  64          2HG2      VAL  64  10.630  -3.250  -0.124
  468   2HG2  VAL  64          1HG2      VAL  64  10.057  -1.595   0.085
  469   3HG2  VAL  64          3HG2      VAL  64   9.509  -2.550  -1.293
  470    H    ALA  65           H        ALA  65  11.263  -1.794  -4.486
  471    HA   ALA  65           HA       ALA  65   8.766  -3.086  -4.854
  472   1HB   ALA  65          3HB       ALA  65   9.718  -0.850  -5.871
  473   2HB   ALA  65          2HB       ALA  65  10.252  -1.914  -7.173
  474   3HB   ALA  65          1HB       ALA  65   8.539  -1.804  -6.769
  475    H    GLY  66           H        GLY  66  12.005  -3.721  -6.083
  476   1HA   GLY  66          2HA       GLY  66  11.225  -5.698  -7.995
  477   2HA   GLY  66          1HA       GLY  66  12.853  -5.438  -7.377
  478    H    ARG  67           H        ARG  67  11.918  -5.745  -4.568
  479    HA   ARG  67           HA       ARG  67  11.658  -8.692  -4.575
  480   1HB   ARG  67          2HB       ARG  67  13.784  -7.517  -3.625
  481   2HB   ARG  67          1HB       ARG  67  12.746  -7.126  -2.252
  482   1HG   ARG  67          2HG       ARG  67  12.598  -9.306  -1.564
  483   2HG   ARG  67          1HG       ARG  67  12.653  -9.939  -3.210
  484   1HD   ARG  67          2HD       ARG  67  15.140  -8.915  -3.058
  485   2HD   ARG  67          1HD       ARG  67  14.883  -9.280  -1.355
  486    HE   ARG  67           HE       ARG  67  14.802 -11.580  -1.894
  487   1HH1  ARG  67          2HH1      ARG  67  13.891 -10.130  -4.774
  488   2HH1  ARG  67          1HH1      ARG  67  14.830 -11.151  -5.810
  489   1HH2  ARG  67          1HH2      ARG  67  16.542 -12.668  -3.204
  490   2HH2  ARG  67          2HH2      ARG  67  16.332 -12.588  -4.921
  491    H    VAL  68           H        VAL  68   9.323  -7.311  -4.810
  492    HA   VAL  68           HA       VAL  68   8.198  -7.057  -2.111
  493    HB   VAL  68           HB       VAL  68   7.691  -5.287  -3.784
  494   1HG1  VAL  68          3HG1      VAL  68   7.532  -7.175  -5.656
  495   2HG1  VAL  68          2HG1      VAL  68   5.830  -7.157  -5.197
  496   3HG1  VAL  68          1HG1      VAL  68   6.600  -5.685  -5.787
  497   1HG2  VAL  68          3HG2      VAL  68   6.099  -6.172  -1.892
  498   2HG2  VAL  68          2HG2      VAL  68   5.477  -5.034  -3.088
  499   3HG2  VAL  68          1HG2      VAL  68   5.125  -6.755  -3.242
  500    H    ASP  69           H        ASP  69   7.395  -8.810  -1.187
  501    HA   ASP  69           HA       ASP  69   6.441 -11.027  -2.868
  502   1HB   ASP  69          2HB       ASP  69   7.045 -10.883   0.096
  503   2HB   ASP  69          1HB       ASP  69   6.458 -12.321  -0.739
  504    H    THR  70           H        THR  70   5.418  -8.965  -0.170
  505    HA   THR  70           HA       THR  70   2.714 -10.042  -0.248
  506    HB   THR  70           HB       THR  70   2.388  -8.101   1.472
  507    HG1  THR  70           HG1      THR  70   4.413  -7.588   2.451
  508   1HG2  THR  70          1HG2      THR  70   4.164 -10.506   1.963
  509   2HG2  THR  70          3HG2      THR  70   3.429  -9.539   3.243
  510   3HG2  THR  70          2HG2      THR  70   2.409 -10.438   2.120
  511    HA   PRO  71           HA       PRO  71   1.203  -6.880  -2.962
  512   1HB   PRO  71          2HB       PRO  71  -1.462  -7.021  -2.379
  513   2HB   PRO  71          1HB       PRO  71  -0.598  -8.245  -3.323
  514   1HG   PRO  71          2HG       PRO  71  -1.599  -8.379  -0.542
  515   2HG   PRO  71          1HG       PRO  71  -1.297  -9.687  -1.694
  516   1HD   PRO  71          2HD       PRO  71   0.377  -8.911   0.469
  517   2HD   PRO  71          1HD       PRO  71   0.780 -10.062  -0.828
  518    H    ARG  72           H        ARG  72  -0.217  -6.776   0.303
  519    HA   ARG  72           HA       ARG  72  -1.095  -4.116   0.299
  520   1HB   ARG  72          2HB       ARG  72  -1.517  -5.949   2.051
  521   2HB   ARG  72          1HB       ARG  72   0.030  -5.466   2.746
  522   1HG   ARG  72          2HG       ARG  72  -0.734  -3.304   3.268
  523   2HG   ARG  72          1HG       ARG  72  -2.081  -3.406   2.132
  524   1HD   ARG  72          2HD       ARG  72  -2.776  -5.445   3.694
  525   2HD   ARG  72          1HD       ARG  72  -1.822  -4.557   4.878
  526    HE   ARG  72           HE       ARG  72  -3.426  -2.618   3.942
  527   1HH1  ARG  72          1HH2      ARG  72  -5.722  -3.666   3.035
  528   2HH1  ARG  72          2HH2      ARG  72  -6.609  -4.326   4.369
  529   1HH2  ARG  72          2HH1      ARG  72  -3.864  -4.431   6.485
  530   2HH2  ARG  72          1HH1      ARG  72  -5.557  -4.758   6.322
  531    H    GLU  73           H        GLU  73   2.105  -5.457   0.694
  532    HA   GLU  73           HA       GLU  73   3.354  -3.234   1.926
  533   1HB   GLU  73          2HB       GLU  73   4.306  -5.591   1.627
  534   2HB   GLU  73          1HB       GLU  73   4.710  -5.101  -0.019
  535   1HG   GLU  73          2HG       GLU  73   6.668  -4.561   1.146
  536   2HG   GLU  73          1HG       GLU  73   5.801  -3.025   1.149
  537    H    LEU  74           H        LEU  74   3.065  -4.194  -1.491
  538    HA   LEU  74           HA       LEU  74   4.495  -2.110  -2.667
  539   1HB   LEU  74          2HB       LEU  74   3.240  -4.224  -3.682
  540   2HB   LEU  74          1HB       LEU  74   1.987  -3.023  -3.998
  541    HG   LEU  74           HG       LEU  74   4.132  -1.633  -4.851
  542   1HD1  LEU  74          2HD1      LEU  74   4.864  -4.539  -4.928
  543   2HD1  LEU  74          1HD1      LEU  74   5.371  -3.503  -6.264
  544   3HD1  LEU  74          3HD1      LEU  74   5.887  -3.136  -4.618
  545   1HD2  LEU  74          2HD2      LEU  74   2.550  -3.726  -6.375
  546   2HD2  LEU  74          1HD2      LEU  74   2.155  -2.016  -6.201
  547   3HD2  LEU  74          3HD2      LEU  74   3.559  -2.505  -7.150
  548    H    LEU  75           H        LEU  75   1.176  -2.200  -1.506
  549    HA   LEU  75           HA       LEU  75   0.322   0.273  -2.599
  550   1HB   LEU  75          2HB       LEU  75  -1.248  -1.417  -1.725
  551   2HB   LEU  75          1HB       LEU  75  -0.627  -1.153  -0.098
  552    HG   LEU  75           HG       LEU  75  -1.254   1.375  -0.623
  553   1HD1  LEU  75          1HD1      LEU  75  -2.581  -0.206  -2.749
  554   2HD1  LEU  75          3HD1      LEU  75  -3.608   0.961  -1.916
  555   3HD1  LEU  75          2HD1      LEU  75  -2.136   1.501  -2.724
  556   1HD2  LEU  75          1HD2      LEU  75  -3.258  -0.797   0.048
  557   2HD2  LEU  75          3HD2      LEU  75  -2.195   0.028   1.189
  558   3HD2  LEU  75          2HD2      LEU  75  -3.481   0.922   0.378
  559    H    ASP  76           H        ASP  76   1.567  -0.575   0.632
  560    HA   ASP  76           HA       ASP  76   1.565   2.124   1.559
  561   1HB   ASP  76          2HB       ASP  76   2.678  -0.461   2.566
  562   2HB   ASP  76          1HB       ASP  76   3.246   1.047   3.282
  563    H    LEU  77           H        LEU  77   3.614   0.562  -0.647
  564    HA   LEU  77           HA       LEU  77   6.031   1.981   0.111
  565   1HB   LEU  77          2HB       LEU  77   5.324   0.218  -2.239
  566   2HB   LEU  77          1HB       LEU  77   6.878   1.039  -2.092
  567    HG   LEU  77           HG       LEU  77   5.847  -0.594   0.201
  568   1HD1  LEU  77          3HD1      LEU  77   6.690  -1.594  -2.449
  569   2HD1  LEU  77          2HD1      LEU  77   7.538  -2.326  -1.087
  570   3HD1  LEU  77          1HD1      LEU  77   5.781  -2.407  -1.176
  571   1HD2  LEU  77          3HD2      LEU  77   7.916   0.943   0.224
  572   2HD2  LEU  77          2HD2      LEU  77   8.145  -0.710   0.794
  573   3HD2  LEU  77          1HD2      LEU  77   8.667  -0.256  -0.828
  574    H    ILE  78           H        ILE  78   3.990   1.942  -2.815
  575    HA   ILE  78           HA       ILE  78   5.111   4.370  -3.844
  576    HB   ILE  78           HB       ILE  78   2.467   3.106  -4.595
  577   1HG1  ILE  78          2HG1      ILE  78   4.280   1.434  -4.716
  578   2HG1  ILE  78          1HG1      ILE  78   3.747   1.894  -6.330
  579   1HG2  ILE  78          2HG2      ILE  78   4.216   5.242  -5.711
  580   2HG2  ILE  78          1HG2      ILE  78   3.460   4.146  -6.867
  581   3HG2  ILE  78          3HG2      ILE  78   2.460   5.086  -5.758
  582   1HD1  ILE  78          2HD1      ILE  78   5.651   3.543  -6.413
  583   2HD1  ILE  78          1HD1      ILE  78   6.226   2.874  -4.885
  584   3HD1  ILE  78          3HD1      ILE  78   6.169   1.859  -6.327
  585    H    ASN  79           H        ASN  79   2.100   3.546  -2.205
  586    HA   ASN  79           HA       ASN  79   0.917   6.111  -2.259
  587   1HB   ASN  79          2HB       ASN  79  -0.210   3.895  -1.706
  588   2HB   ASN  79          1HB       ASN  79   0.509   4.034  -0.104
  589   1HD2  ASN  79          2HD2      ASN  79  -2.796   5.577   0.260
  590   2HD2  ASN  79          1HD2      ASN  79  -2.139   4.023   0.075
  591    H    GLY  80           H        GLY  80   2.877   4.453   0.199
  592   1HA   GLY  80          2HA       GLY  80   2.822   6.553   2.108
  593   2HA   GLY  80          1HA       GLY  80   3.993   5.239   2.058
  594    H    ALA  81           H        ALA  81   4.781   5.944  -0.723
  595    HA   ALA  81           HA       ALA  81   6.991   7.585  -0.150
  596   1HB   ALA  81          3HB       ALA  81   6.830   6.000  -2.082
  597   2HB   ALA  81          2HB       ALA  81   5.744   7.144  -2.871
  598   3HB   ALA  81          1HB       ALA  81   7.412   7.603  -2.528
  599    H    LEU  82           H        LEU  82   4.134   8.366  -2.148
  600    HA   LEU  82           HA       LEU  82   4.725  11.125  -2.375
  601   1HB   LEU  82          2HB       LEU  82   2.267   9.462  -2.807
  602   2HB   LEU  82          1HB       LEU  82   2.146  11.222  -2.828
  603    HG   LEU  82           HG       LEU  82   4.304   9.871  -4.422
  604   1HD1  LEU  82          3HD1      LEU  82   2.061   8.790  -4.931
  605   2HD1  LEU  82          2HD1      LEU  82   1.504  10.377  -5.461
  606   3HD1  LEU  82          1HD1      LEU  82   2.836   9.582  -6.302
  607   1HD2  LEU  82          1HD2      LEU  82   2.674  12.415  -4.704
  608   2HD2  LEU  82          3HD2      LEU  82   4.365  12.298  -4.219
  609   3HD2  LEU  82          2HD2      LEU  82   3.889  11.879  -5.865
  610    H    ALA  83           H        ALA  83   3.027   9.250   0.045
  611    HA   ALA  83           HA       ALA  83   1.638  11.317   1.354
  612   1HB   ALA  83          3HB       ALA  83   2.795   8.724   2.390
  613   2HB   ALA  83          2HB       ALA  83   1.809   9.803   3.377
  614   3HB   ALA  83          1HB       ALA  83   1.122   9.053   1.936
  615    H    GLU  84           H        GLU  84   4.966  10.191   1.621
  616    HA   GLU  84           HA       GLU  84   5.600  11.849   3.887
  617   1HB   GLU  84          2HB       GLU  84   6.791   9.669   2.884
  618   2HB   GLU  84          1HB       GLU  84   7.754  10.900   2.067
  619   1HG   GLU  84          2HG       GLU  84   8.479  11.854   4.109
  620   2HG   GLU  84          1HG       GLU  84   7.217  11.038   5.032
  621    H    ALA  85           H        ALA  85   6.072  12.038   0.385
  622    HA   ALA  85           HA       ALA  85   7.177  14.753   0.682
  623   1HB   ALA  85          3HB       ALA  85   7.079  12.885  -1.699
  624   2HB   ALA  85          2HB       ALA  85   7.729  14.524  -1.742
  625   3HB   ALA  85          1HB       ALA  85   8.498  13.296  -0.737
  626    H    ALA  86           HN       ALA  86   4.355  14.148   1.122
  627    HA   ALA  86           HA       ALA  86   2.782  14.853  -1.128
  628   1HB   ALA  86          1HB       ALA  86   2.274  15.020   1.845
  629   2HB   ALA  86          3HB       ALA  86   1.067  15.489   0.647
  630   3HB   ALA  86          2HB       ALA  86   1.655  13.827   0.702
   
  No H/Q in entry =         630
  Start of MODEL   17
    1   1H    MET   1          3H        MET   1  -9.760  15.915  -0.493
    2   2H    MET   1          2H        MET   1  -9.337  17.141   0.602
    3   3H    MET   1          1H        MET   1 -10.802  17.230  -0.250
    4    HA   MET   1           HA       MET   1  -9.766  17.682  -2.274
    5   1HB   MET   1          2HB       MET   1  -8.384  19.663  -1.781
    6   2HB   MET   1          1HB       MET   1  -9.799  19.609  -0.734
    7   1HG   MET   1          2HG       MET   1  -8.512  18.864   1.134
    8   2HG   MET   1          1HG       MET   1  -7.120  18.493   0.119
    9   1HE   MET   1          3HE       MET   1  -6.721  19.736   2.536
   10   2HE   MET   1          2HE       MET   1  -5.303  20.138   1.572
   11   3HE   MET   1          1HE       MET   1  -6.117  21.398   2.497
   12    H    ALA   2           H        ALA   2  -7.600  16.322   0.118
   13    HA   ALA   2           HA       ALA   2  -5.816  15.456  -2.057
   14   1HB   ALA   2          3HB       ALA   2  -4.772  17.442  -0.999
   15   2HB   ALA   2          2HB       ALA   2  -4.844  16.626   0.563
   16   3HB   ALA   2          1HB       ALA   2  -3.833  15.975  -0.727
   17    H    THR   3           H        THR   3  -5.894  13.308  -2.000
   18    HA   THR   3           HA       THR   3  -5.651  11.964   0.616
   19    HB   THR   3           HB       THR   3  -7.489  10.968  -1.562
   20    HG1  THR   3           HG1      THR   3  -9.021  12.144  -0.733
   21   1HG2  THR   3          3HG2      THR   3  -7.031  10.259   1.343
   22   2HG2  THR   3          2HG2      THR   3  -8.402   9.669   0.404
   23   3HG2  THR   3          1HG2      THR   3  -6.759   9.233  -0.064
   24    H    LEU   4           H        LEU   4  -4.724   9.883   0.547
   25    HA   LEU   4           HA       LEU   4  -2.855   9.522  -1.671
   26   1HB   LEU   4          2HB       LEU   4  -3.118   8.047   0.971
   27   2HB   LEU   4          1HB       LEU   4  -1.847   7.779  -0.210
   28    HG   LEU   4           HG       LEU   4  -0.934   9.224   1.463
   29   1HD1  LEU   4          2HD1      LEU   4  -0.677   9.833  -1.063
   30   2HD1  LEU   4          1HD1      LEU   4  -1.700  11.211  -0.659
   31   3HD1  LEU   4          3HD1      LEU   4  -0.150  10.995   0.153
   32   1HD2  LEU   4          2HD2      LEU   4  -3.396   9.976   2.092
   33   2HD2  LEU   4          1HD2      LEU   4  -2.016  11.011   2.457
   34   3HD2  LEU   4          3HD2      LEU   4  -3.011  11.336   1.037
   35    H    LEU   5           H        LEU   5  -2.559   6.692  -1.558
   36    HA   LEU   5           HA       LEU   5  -4.945   5.926  -3.054
   37   1HB   LEU   5          2HB       LEU   5  -2.359   4.430  -2.568
   38   2HB   LEU   5          1HB       LEU   5  -3.678   3.861  -3.583
   39    HG   LEU   5           HG       LEU   5  -1.902   6.272  -4.035
   40   1HD1  LEU   5          1HD1      LEU   5  -1.152   3.976  -4.726
   41   2HD1  LEU   5          3HD1      LEU   5  -2.573   3.878  -5.767
   42   3HD1  LEU   5          2HD1      LEU   5  -1.334   5.095  -6.077
   43   1HD2  LEU   5          2HD2      LEU   5  -4.426   5.460  -5.527
   44   2HD2  LEU   5          1HD2      LEU   5  -4.205   6.939  -4.593
   45   3HD2  LEU   5          3HD2      LEU   5  -3.282   6.687  -6.074
   46    H    THR   6           H        THR   6  -5.875   3.772  -2.716
   47    HA   THR   6           HA       THR   6  -5.798   2.927   0.113
   48    HB   THR   6           HB       THR   6  -8.347   2.441  -0.314
   49    HG1  THR   6           HG1      THR   6  -8.358   3.106  -2.461
   50   1HG2  THR   6          2HG2      THR   6  -7.223   5.207   0.207
   51   2HG2  THR   6          1HG2      THR   6  -8.868   4.701   0.589
   52   3HG2  THR   6          3HG2      THR   6  -7.501   3.950   1.412
   53    H    THR   7           H        THR   7  -7.094   0.798   0.326
   54    HA   THR   7           HA       THR   7  -5.781  -1.226  -1.096
   55    HB   THR   7           HB       THR   7  -8.479  -1.397   0.275
   56    HG1  THR   7           HG1      THR   7  -7.098  -2.157   2.013
   57   1HG2  THR   7          3HG2      THR   7  -7.887  -3.310  -1.204
   58   2HG2  THR   7          2HG2      THR   7  -6.399  -3.524  -0.282
   59   3HG2  THR   7          1HG2      THR   7  -7.964  -3.765   0.498
   60    H    ASP   8           H        ASP   8  -8.825   0.421  -1.662
   61    HA   ASP   8           HA       ASP   8  -9.970  -1.186  -3.632
   62   1HB   ASP   8          2HB       ASP   8 -10.007   1.836  -3.428
   63   2HB   ASP   8          1HB       ASP   8 -11.090   0.873  -4.432
   64    H    ASP   9           H        ASP   9  -7.538   1.382  -3.935
   65    HA   ASP   9           HA       ASP   9  -7.347   1.308  -6.773
   66   1HB   ASP   9          2HB       ASP   9  -6.307   2.966  -4.893
   67   2HB   ASP   9          1HB       ASP   9  -4.895   1.965  -5.228
   68    H    LEU  10           H        LEU  10  -5.819  -0.455  -4.152
   69    HA   LEU  10           HA       LEU  10  -3.722  -1.728  -5.471
   70   1HB   LEU  10          2HB       LEU  10  -4.560  -1.812  -2.967
   71   2HB   LEU  10          1HB       LEU  10  -5.377  -3.274  -3.517
   72    HG   LEU  10           HG       LEU  10  -2.433  -2.766  -3.996
   73   1HD1  LEU  10          3HD1      LEU  10  -3.844  -4.154  -1.703
   74   2HD1  LEU  10          2HD1      LEU  10  -2.145  -4.431  -2.094
   75   3HD1  LEU  10          1HD1      LEU  10  -2.688  -2.824  -1.609
   76   1HD2  LEU  10          3HD2      LEU  10  -4.281  -5.156  -4.196
   77   2HD2  LEU  10          2HD2      LEU  10  -3.306  -4.430  -5.476
   78   3HD2  LEU  10          1HD2      LEU  10  -2.524  -5.319  -4.169
   79    H    ARG  11           H        ARG  11  -7.016  -3.007  -4.969
   80    HA   ARG  11           HA       ARG  11  -6.714  -5.331  -6.514
   81   1HB   ARG  11          2HB       ARG  11  -8.681  -4.359  -4.915
   82   2HB   ARG  11          1HB       ARG  11  -9.402  -4.088  -6.500
   83   1HG   ARG  11          2HG       ARG  11  -8.103  -6.726  -6.177
   84   2HG   ARG  11          1HG       ARG  11  -9.509  -6.467  -5.145
   85   1HD   ARG  11          2HD       ARG  11  -9.847  -5.576  -7.942
   86   2HD   ARG  11          1HD       ARG  11  -9.648  -7.313  -7.740
   87    HE   ARG  11           HE       ARG  11 -11.551  -7.082  -6.051
   88   1HH1  ARG  11          1HH2      ARG  11 -11.703  -6.336  -9.259
   89   2HH1  ARG  11          2HH2      ARG  11 -13.094  -5.306  -9.179
   90   1HH2  ARG  11          2HH1      ARG  11 -13.100  -5.141  -5.715
   91   2HH2  ARG  11          1HH1      ARG  11 -13.884  -4.630  -7.172
   92    H    ARG  12           H        ARG  12  -8.202  -2.214  -7.398
   93    HA   ARG  12           HA       ARG  12  -8.890  -2.797 -10.028
   94   1HB   ARG  12          2HB       ARG  12  -8.426  -0.352  -8.458
   95   2HB   ARG  12          1HB       ARG  12  -8.162  -0.150 -10.189
   96   1HG   ARG  12          2HG       ARG  12 -10.598  -1.656  -9.363
   97   2HG   ARG  12          1HG       ARG  12 -10.598   0.085  -9.083
   98   1HD   ARG  12          2HD       ARG  12  -9.927   0.414 -11.472
   99   2HD   ARG  12          1HD       ARG  12 -10.099  -1.321 -11.720
  100    HE   ARG  12           HE       ARG  12 -12.521  -0.609 -10.707
  101   1HH1  ARG  12          2HH1      ARG  12 -11.519   2.073 -12.052
  102   2HH1  ARG  12          1HH1      ARG  12 -12.399   1.993 -13.542
  103   1HH2  ARG  12          1HH2      ARG  12 -13.242  -1.351 -13.173
  104   2HH2  ARG  12          2HH2      ARG  12 -13.374   0.054 -14.176
  105    H    ALA  13           H        ALA  13  -5.736  -2.203  -8.681
  106    HA   ALA  13           HA       ALA  13  -4.486  -1.617 -11.224
  107   1HB   ALA  13          1HB       ALA  13  -3.697  -0.886  -8.862
  108   2HB   ALA  13          3HB       ALA  13  -3.007  -2.506  -8.762
  109   3HB   ALA  13          2HB       ALA  13  -2.481  -1.400 -10.031
  110    H    LEU  14           H        LEU  14  -4.859  -4.415  -9.107
  111    HA   LEU  14           HA       LEU  14  -3.110  -6.103 -10.648
  112   1HB   LEU  14          2HB       LEU  14  -4.948  -6.481  -8.328
  113   2HB   LEU  14          1HB       LEU  14  -4.456  -7.903  -9.249
  114    HG   LEU  14           HG       LEU  14  -2.310  -5.971  -8.527
  115   1HD1  LEU  14          2HD1      LEU  14  -4.038  -6.583  -6.520
  116   2HD1  LEU  14          1HD1      LEU  14  -2.954  -7.971  -6.431
  117   3HD1  LEU  14          3HD1      LEU  14  -2.310  -6.338  -6.269
  118   1HD2  LEU  14          2HD2      LEU  14  -2.014  -8.135  -9.814
  119   2HD2  LEU  14          1HD2      LEU  14  -1.005  -7.995  -8.375
  120   3HD2  LEU  14          3HD2      LEU  14  -2.459  -8.993  -8.340
  121    H    VAL  15           H        VAL  15  -6.399  -5.125 -10.980
  122    HA   VAL  15           HA       VAL  15  -7.275  -7.492 -12.385
  123    HB   VAL  15           HB       VAL  15  -8.566  -4.754 -12.286
  124   1HG1  VAL  15          1HG1      VAL  15  -9.529  -7.513 -13.077
  125   2HG1  VAL  15          3HG1      VAL  15 -10.632  -6.185 -12.711
  126   3HG1  VAL  15          2HG1      VAL  15  -9.511  -6.052 -14.066
  127   1HG2  VAL  15          2HG2      VAL  15  -8.068  -6.308 -10.108
  128   2HG2  VAL  15          1HG2      VAL  15  -9.497  -5.288 -10.262
  129   3HG2  VAL  15          3HG2      VAL  15  -9.595  -7.006 -10.645
  130    H    GLU  16           H        GLU  16  -6.608  -4.113 -13.320
  131    HA   GLU  16           HA       GLU  16  -6.866  -4.591 -16.116
  132   1HB   GLU  16          2HB       GLU  16  -5.725  -2.369 -14.451
  133   2HB   GLU  16          1HB       GLU  16  -5.440  -2.394 -16.192
  134   1HG   GLU  16          2HG       GLU  16  -7.859  -2.504 -16.605
  135   2HG   GLU  16          1HG       GLU  16  -8.166  -2.527 -14.868
  136    H    CYS  17           H        CYS  17  -4.177  -4.698 -13.857
  137    HA   CYS  17           HA       CYS  17  -2.257  -5.180 -16.006
  138   1HB   CYS  17          2HB       CYS  17  -1.886  -5.093 -13.004
  139   2HB   CYS  17          1HB       CYS  17  -0.591  -5.247 -14.189
  140    HG   CYS  17           HG       CYS  17  -2.410  -2.772 -14.529
  141    H    ALA  18           H        ALA  18  -4.520  -7.113 -14.771
  142    HA   ALA  18           HA       ALA  18  -3.171  -9.372 -13.770
  143   1HB   ALA  18          1HB       ALA  18  -5.764  -8.774 -14.011
  144   2HB   ALA  18          3HB       ALA  18  -5.594  -9.778 -15.453
  145   3HB   ALA  18          2HB       ALA  18  -5.200 -10.439 -13.865
  146    H    GLY  19           H        GLY  19  -4.586  -8.991 -17.029
  147   1HA   GLY  19          2HA       GLY  19  -2.911  -9.339 -18.903
  148   2HA   GLY  19          1HA       GLY  19  -2.478 -10.811 -18.040
  149    H    GLU  20           H        GLU  20  -3.794 -12.607 -18.157
  150    HA   GLU  20           HA       GLU  20  -6.025 -12.417 -20.094
  151   1HB   GLU  20          2HB       GLU  20  -3.894 -14.476 -19.682
  152   2HB   GLU  20          1HB       GLU  20  -5.470 -14.989 -20.286
  153   1HG   GLU  20          2HG       GLU  20  -4.522 -14.464 -22.308
  154   2HG   GLU  20          1HG       GLU  20  -5.074 -12.846 -21.874
  155    H    THR  21           H        THR  21  -6.566 -11.861 -17.448
  156    HA   THR  21           HA       THR  21  -8.662 -13.654 -16.888
  157    HB   THR  21           HB       THR  21  -7.122 -15.280 -16.119
  158    HG1  THR  21           HG1      THR  21  -7.902 -15.506 -14.160
  159   1HG2  THR  21          2HG2      THR  21  -5.629 -12.903 -15.187
  160   2HG2  THR  21          1HG2      THR  21  -5.544 -14.313 -14.133
  161   3HG2  THR  21          3HG2      THR  21  -5.025 -14.436 -15.813
  162    H    ASP  22           H        ASP  22 -10.086 -12.358 -16.070
  163    HA   ASP  22           HA       ASP  22  -9.242 -10.346 -14.071
  164   1HB   ASP  22          2HB       ASP  22 -11.168  -8.966 -14.887
  165   2HB   ASP  22          1HB       ASP  22  -9.897  -9.178 -16.092
  166    H    GLY  23           H        GLY  23 -10.148 -13.135 -13.718
  167   1HA   GLY  23          2HA       GLY  23 -12.884 -13.101 -12.851
  168   2HA   GLY  23          1HA       GLY  23 -11.705 -14.369 -12.533
  169    H    THR  24           H        THR  24 -10.292 -14.156 -10.724
  170    HA   THR  24           HA       THR  24  -9.769 -13.653  -8.547
  171    HB   THR  24           HB       THR  24 -11.192 -11.033  -8.685
  172    HG1  THR  24           HG1      THR  24 -10.147 -10.535 -10.418
  173   1HG2  THR  24          3HG2      THR  24  -9.621 -12.133  -6.819
  174   2HG2  THR  24          2HG2      THR  24  -8.365 -11.415  -7.827
  175   3HG2  THR  24          1HG2      THR  24  -9.624 -10.397  -7.128
  176    H    ASP  25           H        ASP  25 -10.702 -14.280  -6.714
  177    HA   ASP  25           HA       ASP  25 -13.652 -14.124  -6.541
  178   1HB   ASP  25          2HB       ASP  25 -12.251 -16.419  -6.666
  179   2HB   ASP  25          1HB       ASP  25 -12.200 -16.146  -4.925
  180    H    LEU  26           H        LEU  26 -13.634 -12.159  -5.460
  181    HA   LEU  26           HA       LEU  26 -12.136 -11.791  -3.020
  182   1HB   LEU  26          2HB       LEU  26 -13.567 -10.117  -4.827
  183   2HB   LEU  26          1HB       LEU  26 -14.314  -9.921  -3.244
  184    HG   LEU  26           HG       LEU  26 -11.786  -9.793  -2.440
  185   1HD1  LEU  26          1HD1      LEU  26 -11.724  -9.191  -5.392
  186   2HD1  LEU  26          3HD1      LEU  26 -10.590  -8.404  -4.294
  187   3HD1  LEU  26          2HD1      LEU  26 -10.603 -10.163  -4.439
  188   1HD2  LEU  26          3HD2      LEU  26 -13.270  -7.547  -3.842
  189   2HD2  LEU  26          2HD2      LEU  26 -13.437  -8.007  -2.148
  190   3HD2  LEU  26          1HD2      LEU  26 -11.921  -7.319  -2.730
  191    H    SER  27           H        SER  27 -12.836 -13.613  -1.806
  192    HA   SER  27           HA       SER  27 -15.623 -13.459  -0.828
  193   1HB   SER  27          2HB       SER  27 -14.894 -15.818   0.102
  194   2HB   SER  27          1HB       SER  27 -15.424 -15.629  -1.568
  195    HG   SER  27           HG       SER  27 -13.171 -16.611  -0.788
  196    H    GLY  28           H        GLY  28 -13.459 -11.752   0.076
  197   1HA   GLY  28          2HA       GLY  28 -13.834 -11.328   2.662
  198   2HA   GLY  28          1HA       GLY  28 -12.796 -12.749   2.749
  199    H    ASP  29           H        ASP  29 -10.652 -12.476   2.665
  200    HA   ASP  29           HA       ASP  29  -9.640  -9.759   2.129
  201   1HB   ASP  29          2HB       ASP  29  -8.680 -12.047   3.807
  202   2HB   ASP  29          1HB       ASP  29  -7.507 -10.884   3.190
  203    H    PHE  30           H        PHE  30  -8.025  -9.385   0.660
  204    HA   PHE  30           HA       PHE  30  -7.125 -11.680  -0.970
  205   1HB   PHE  30          2HB       PHE  30  -7.281 -10.181  -2.978
  206   2HB   PHE  30          1HB       PHE  30  -8.835 -10.619  -2.273
  207    HD1  PHE  30           HD2      PHE  30  -6.276  -7.913  -2.432
  208    HD2  PHE  30           HD1      PHE  30 -10.303  -8.976  -1.378
  209    HE1  PHE  30           HE2      PHE  30  -6.825  -5.516  -2.123
  210    HE2  PHE  30           HE1      PHE  30 -10.853  -6.579  -1.068
  211    HZ   PHE  30           HZ       PHE  30  -9.117  -4.851  -1.440
  212    H    LEU  31           H        LEU  31  -5.898  -9.972   1.201
  213    HA   LEU  31           HA       LEU  31  -3.533  -9.126  -0.353
  214   1HB   LEU  31          2HB       LEU  31  -4.630  -7.785   2.128
  215   2HB   LEU  31          1HB       LEU  31  -3.154  -7.329   1.276
  216    HG   LEU  31           HG       LEU  31  -5.836  -7.446  -0.109
  217   1HD1  LEU  31          1HD1      LEU  31  -5.399  -5.754   1.961
  218   2HD1  LEU  31          3HD1      LEU  31  -4.687  -4.816   0.648
  219   3HD1  LEU  31          2HD1      LEU  31  -6.372  -5.327   0.554
  220   1HD2  LEU  31          2HD2      LEU  31  -3.807  -7.480  -1.519
  221   2HD2  LEU  31          1HD2      LEU  31  -4.685  -5.963  -1.717
  222   3HD2  LEU  31          3HD2      LEU  31  -3.229  -6.015  -0.724
  223    H    ASP  32           H        ASP  32  -4.063 -11.683   0.851
  224    HA   ASP  32           HA       ASP  32  -2.133 -11.708   3.089
  225   1HB   ASP  32          2HB       ASP  32  -4.440 -13.449   2.335
  226   2HB   ASP  32          1HB       ASP  32  -3.068 -14.197   3.155
  227    H    LEU  33           H        LEU  33  -2.859 -12.960  -0.099
  228    HA   LEU  33           HA       LEU  33  -0.112 -13.547  -0.634
  229   1HB   LEU  33          2HB       LEU  33  -1.041 -15.559   0.756
  230   2HB   LEU  33          1HB       LEU  33  -1.865 -15.982  -0.746
  231    HG   LEU  33           HG       LEU  33   0.519 -15.567  -1.801
  232   1HD1  LEU  33          2HD1      LEU  33   1.438 -14.782   0.413
  233   2HD1  LEU  33          1HD1      LEU  33   1.228 -16.426   1.017
  234   3HD1  LEU  33          3HD1      LEU  33   2.345 -16.112  -0.310
  235   1HD2  LEU  33          2HD2      LEU  33  -0.545 -17.962  -0.330
  236   2HD2  LEU  33          1HD2      LEU  33  -0.365 -17.715  -2.067
  237   3HD2  LEU  33          3HD2      LEU  33   1.054 -18.041  -1.070
  238    H    ARG  34           H        ARG  34  -1.898 -11.877  -1.849
  239    HA   ARG  34           HA       ARG  34  -3.268 -13.061  -4.054
  240   1HB   ARG  34          2HB       ARG  34  -3.348 -10.610  -2.885
  241   2HB   ARG  34          1HB       ARG  34  -2.394 -10.244  -4.321
  242   1HG   ARG  34          2HG       ARG  34  -5.049 -11.710  -4.361
  243   2HG   ARG  34          1HG       ARG  34  -4.862  -9.986  -4.681
  244   1HD   ARG  34          2HD       ARG  34  -3.348 -10.501  -6.561
  245   2HD   ARG  34          1HD       ARG  34  -3.540 -12.221  -6.243
  246    HE   ARG  34           HE       ARG  34  -5.498 -10.455  -7.490
  247   1HH1  ARG  34          1HH2      ARG  34  -6.777 -12.232  -5.334
  248   2HH1  ARG  34          2HH2      ARG  34  -7.279 -13.595  -6.278
  249   1HH2  ARG  34          2HH1      ARG  34  -5.297 -12.773  -9.002
  250   2HH2  ARG  34          1HH1      ARG  34  -6.441 -13.901  -8.355
  251    H    PHE  35           H        PHE  35  -0.209 -11.219  -3.839
  252    HA   PHE  35           HA       PHE  35   0.497 -11.446  -6.554
  253   1HB   PHE  35          2HB       PHE  35   2.004 -10.896  -4.036
  254   2HB   PHE  35          1HB       PHE  35   2.923 -11.288  -5.489
  255    HD1  PHE  35           HD1      PHE  35  -0.201  -9.319  -4.787
  256    HD2  PHE  35           HD2      PHE  35   3.710  -9.365  -6.580
  257    HE1  PHE  35           HE1      PHE  35  -0.547  -7.009  -5.619
  258    HE2  PHE  35           HE2      PHE  35   3.352  -7.063  -7.403
  259    HZ   PHE  35           HZ       PHE  35   1.235  -5.882  -6.925
  260    H    GLU  36           H        GLU  36   1.721 -13.367  -3.791
  261    HA   GLU  36           HA       GLU  36   3.170 -15.228  -5.293
  262   1HB   GLU  36          2HB       GLU  36   2.666 -14.823  -2.601
  263   2HB   GLU  36          1HB       GLU  36   1.907 -16.382  -2.914
  264   1HG   GLU  36          2HG       GLU  36   4.119 -16.967  -2.392
  265   2HG   GLU  36          1HG       GLU  36   4.114 -16.957  -4.157
  266    H    ASP  37           H        ASP  37  -0.255 -14.911  -4.869
  267    HA   ASP  37           HA       ASP  37  -1.162 -17.519  -5.189
  268   1HB   ASP  37          2HB       ASP  37  -2.392 -15.117  -4.993
  269   2HB   ASP  37          1HB       ASP  37  -2.643 -15.449  -6.705
  270    H    ILE  38           H        ILE  38  -1.074 -15.153  -7.872
  271    HA   ILE  38           HA       ILE  38  -0.906 -17.364  -9.765
  272    HB   ILE  38           HB       ILE  38  -1.343 -15.737 -11.486
  273   1HG1  ILE  38          2HG1      ILE  38  -1.055 -13.567  -9.382
  274   2HG1  ILE  38          1HG1      ILE  38   0.201 -13.964 -10.555
  275   1HG2  ILE  38          1HG2      ILE  38  -3.101 -16.335  -9.544
  276   2HG2  ILE  38          3HG2      ILE  38  -3.039 -14.585  -9.331
  277   3HG2  ILE  38          2HG2      ILE  38  -3.503 -15.269 -10.889
  278   1HD1  ILE  38          3HD1      ILE  38  -2.168 -13.695 -12.064
  279   2HD1  ILE  38          2HD1      ILE  38  -2.181 -12.354 -10.918
  280   3HD1  ILE  38          1HD1      ILE  38  -0.811 -12.570 -12.006
  281    H    GLY  39           H        GLY  39   0.600 -15.889 -11.797
  282   1HA   GLY  39          2HA       GLY  39   3.273 -16.524 -10.813
  283   2HA   GLY  39          1HA       GLY  39   2.824 -16.197 -12.484
  284    H    TYR  40           H        TYR  40   2.659 -14.425  -9.382
  285    HA   TYR  40           HA       TYR  40   3.722 -12.049 -10.778
  286   1HB   TYR  40          2HB       TYR  40   1.752 -12.430  -8.595
  287   2HB   TYR  40          1HB       TYR  40   2.859 -11.077  -8.389
  288    HD1  TYR  40           HD1      TYR  40   3.320  -9.982 -10.974
  289    HD2  TYR  40           HD2      TYR  40  -0.296 -11.715  -9.430
  290    HE1  TYR  40           HE1      TYR  40   1.992  -8.646 -12.586
  291    HE2  TYR  40           HE2      TYR  40  -1.622 -10.378 -11.043
  292    HH   TYR  40           HH       TYR  40  -0.928  -9.272 -13.517
  293    H    ASP  41           H        ASP  41   5.693 -13.690 -10.358
  294    HA   ASP  41           HA       ASP  41   6.861 -13.801  -7.802
  295   1HB   ASP  41          2HB       ASP  41   9.042 -14.114  -9.096
  296   2HB   ASP  41          1HB       ASP  41   7.761 -15.276  -9.412
  297    H    SER  42           H        SER  42   7.532 -11.557 -10.495
  298    HA   SER  42           HA       SER  42   7.691  -9.210  -9.065
  299   1HB   SER  42          2HB       SER  42  10.393  -9.145  -9.143
  300   2HB   SER  42          1HB       SER  42   9.488  -9.607  -7.705
  301    HG   SER  42           HG       SER  42  10.698 -11.340  -7.939
  302    H    LEU  43           H        LEU  43   9.736 -10.988 -11.382
  303    HA   LEU  43           HA       LEU  43  10.398  -8.834 -13.036
  304   1HB   LEU  43          2HB       LEU  43  10.273 -11.792 -13.390
  305   2HB   LEU  43          1HB       LEU  43  10.394 -10.803 -14.842
  306    HG   LEU  43           HG       LEU  43  12.629 -11.461 -14.011
  307   1HD1  LEU  43          1HD1      LEU  43  11.970  -9.083 -14.992
  308   2HD1  LEU  43          3HD1      LEU  43  12.450  -8.541 -13.384
  309   3HD1  LEU  43          2HD1      LEU  43  13.603  -9.400 -14.406
  310   1HD2  LEU  43          2HD2      LEU  43  11.768  -9.941 -11.530
  311   2HD2  LEU  43          1HD2      LEU  43  12.160 -11.658 -11.632
  312   3HD2  LEU  43          3HD2      LEU  43  13.424 -10.449 -11.857
  313    H    ALA  44           H        ALA  44   7.548 -10.905 -13.006
  314    HA   ALA  44           HA       ALA  44   6.426 -10.045 -15.459
  315   1HB   ALA  44          2HB       ALA  44   5.715 -12.041 -14.010
  316   2HB   ALA  44          1HB       ALA  44   4.811 -10.871 -13.049
  317   3HB   ALA  44          3HB       ALA  44   4.425 -11.098 -14.755
  318    H    LEU  45           H        LEU  45   5.873  -8.986 -12.110
  319    HA   LEU  45           HA       LEU  45   4.268  -6.728 -13.028
  320   1HB   LEU  45          2HB       LEU  45   3.916  -6.281 -10.643
  321   2HB   LEU  45          1HB       LEU  45   3.552  -7.951 -11.052
  322    HG   LEU  45           HG       LEU  45   6.235  -8.087 -10.407
  323   1HD1  LEU  45          3HD1      LEU  45   5.895  -5.661  -9.582
  324   2HD1  LEU  45          2HD1      LEU  45   4.958  -6.385  -8.276
  325   3HD1  LEU  45          1HD1      LEU  45   6.659  -6.800  -8.474
  326   1HD2  LEU  45          1HD2      LEU  45   3.693  -8.588  -8.871
  327   2HD2  LEU  45          3HD2      LEU  45   4.793  -9.761  -9.594
  328   3HD2  LEU  45          2HD2      LEU  45   5.259  -8.902  -8.125
  329    H    MET  46           H        MET  46   7.443  -7.160 -13.085
  330    HA   MET  46           HA       MET  46   8.424  -4.882 -11.647
  331   1HB   MET  46          2HB       MET  46   9.671  -7.043 -12.583
  332   2HB   MET  46          1HB       MET  46   9.942  -5.980 -13.963
  333   1HG   MET  46          2HG       MET  46  10.490  -5.039 -11.151
  334   2HG   MET  46          1HG       MET  46  11.698  -5.952 -12.056
  335   1HE   MET  46          1HE       MET  46  13.251  -4.310 -11.713
  336   2HE   MET  46          3HE       MET  46  13.464  -2.813 -12.629
  337   3HE   MET  46          2HE       MET  46  12.477  -2.824 -11.169
  338    H    GLU  47           H        GLU  47   7.886  -5.561 -15.106
  339    HA   GLU  47           HA       GLU  47   8.497  -2.862 -15.896
  340   1HB   GLU  47          2HB       GLU  47   7.432  -5.292 -17.301
  341   2HB   GLU  47          1HB       GLU  47   7.365  -3.715 -18.089
  342   1HG   GLU  47          2HG       GLU  47   9.848  -3.483 -17.536
  343   2HG   GLU  47          1HG       GLU  47   9.814  -5.194 -17.113
  344    H    THR  48           H        THR  48   5.550  -4.751 -15.391
  345    HA   THR  48           HA       THR  48   3.687  -2.882 -16.363
  346    HB   THR  48           HB       THR  48   3.260  -4.797 -14.060
  347    HG1  THR  48           HG1      THR  48   3.153  -6.345 -15.496
  348   1HG2  THR  48          3HG2      THR  48   1.506  -3.223 -15.909
  349   2HG2  THR  48          2HG2      THR  48   0.950  -4.797 -15.341
  350   3HG2  THR  48          1HG2      THR  48   1.324  -3.523 -14.180
  351    H    ALA  49           H        ALA  49   5.020  -3.347 -13.105
  352    HA   ALA  49           HA       ALA  49   3.521  -1.187 -11.950
  353   1HB   ALA  49          2HB       ALA  49   4.407  -3.115 -10.630
  354   2HB   ALA  49          1HB       ALA  49   6.037  -2.497 -10.894
  355   3HB   ALA  49          3HB       ALA  49   4.873  -1.546  -9.973
  356    H    ALA  50           H        ALA  50   6.639  -1.522 -13.501
  357    HA   ALA  50           HA       ALA  50   7.882   0.834 -12.610
  358   1HB   ALA  50          1HB       ALA  50   8.132  -0.544 -15.294
  359   2HB   ALA  50          3HB       ALA  50   9.238   0.680 -14.670
  360   3HB   ALA  50          2HB       ALA  50   9.101  -0.880 -13.859
  361    H    ARG  51           H        ARG  51   5.579   0.255 -15.221
  362    HA   ARG  51           HA       ARG  51   5.702   3.017 -16.126
  363   1HB   ARG  51          2HB       ARG  51   3.984   0.668 -16.942
  364   2HB   ARG  51          1HB       ARG  51   3.813   2.281 -17.632
  365   1HG   ARG  51          2HG       ARG  51   6.524   1.886 -17.838
  366   2HG   ARG  51          1HG       ARG  51   5.907   0.253 -18.092
  367   1HD   ARG  51          2HD       ARG  51   4.908   0.794 -20.071
  368   2HD   ARG  51          1HD       ARG  51   4.458   2.405 -19.524
  369    HE   ARG  51           HE       ARG  51   7.265   2.299 -19.839
  370   1HH1  ARG  51          2HH1      ARG  51   4.469   3.497 -21.229
  371   2HH1  ARG  51          1HH1      ARG  51   5.096   3.639 -22.837
  372   1HH2  ARG  51          1HH2      ARG  51   8.028   1.931 -22.128
  373   2HH2  ARG  51          2HH2      ARG  51   7.111   2.752 -23.346
  374    H    LEU  52           H        LEU  52   3.701   1.000 -14.085
  375    HA   LEU  52           HA       LEU  52   1.409   2.647 -13.961
  376   1HB   LEU  52          2HB       LEU  52   1.706   0.246 -13.088
  377   2HB   LEU  52          1HB       LEU  52   2.407   0.991 -11.651
  378    HG   LEU  52           HG       LEU  52  -0.152   2.169 -12.583
  379   1HD1  LEU  52          1HD1      LEU  52  -0.315  -0.403 -12.842
  380   2HD1  LEU  52          3HD1      LEU  52  -0.225  -0.447 -11.081
  381   3HD1  LEU  52          2HD1      LEU  52  -1.551   0.403 -11.876
  382   1HD2  LEU  52          2HD2      LEU  52   1.267   2.667 -10.456
  383   2HD2  LEU  52          1HD2      LEU  52  -0.481   2.517 -10.275
  384   3HD2  LEU  52          3HD2      LEU  52   0.569   1.173  -9.829
  385    H    GLU  53           H        GLU  53   4.555   2.899 -12.491
  386    HA   GLU  53           HA       GLU  53   3.667   4.883 -10.539
  387   1HB   GLU  53          2HB       GLU  53   6.058   4.913  -9.874
  388   2HB   GLU  53          1HB       GLU  53   5.341   3.304  -9.803
  389   1HG   GLU  53          2HG       GLU  53   6.529   2.538 -11.636
  390   2HG   GLU  53          1HG       GLU  53   6.663   4.146 -12.349
  391    H    SER  54           H        SER  54   3.646   5.362 -13.541
  392    HA   SER  54           HA       SER  54   5.604   7.524 -13.787
  393   1HB   SER  54          2HB       SER  54   5.296   5.921 -15.673
  394   2HB   SER  54          1HB       SER  54   3.636   6.486 -15.839
  395    HG   SER  54           HG       SER  54   6.044   7.745 -16.448
  396    H    ARG  55           H        ARG  55   2.144   6.962 -13.551
  397    HA   ARG  55           HA       ARG  55   1.395   9.663 -14.172
  398   1HB   ARG  55          2HB       ARG  55  -0.831   8.985 -13.240
  399   2HB   ARG  55          1HB       ARG  55  -0.240   7.927 -14.521
  400   1HG   ARG  55          2HG       ARG  55   0.359   6.223 -12.999
  401   2HG   ARG  55          1HG       ARG  55   0.302   7.320 -11.620
  402   1HD   ARG  55          2HD       ARG  55  -1.706   6.130 -11.413
  403   2HD   ARG  55          1HD       ARG  55  -2.204   7.607 -12.231
  404    HE   ARG  55           HE       ARG  55  -1.559   5.250 -13.873
  405   1HH1  ARG  55          1HH2      ARG  55  -4.192   5.916 -12.028
  406   2HH1  ARG  55          2HH2      ARG  55  -5.319   6.153 -13.323
  407   1HH2  ARG  55          2HH1      ARG  55  -2.880   6.228 -15.786
  408   2HH2  ARG  55          1HH1      ARG  55  -4.577   6.330 -15.450
  409    H    TYR  56           H        TYR  56   2.281   7.925 -11.265
  410    HA   TYR  56           HA       TYR  56   1.328   9.996  -9.478
  411   1HB   TYR  56          2HB       TYR  56   3.223   7.704  -8.898
  412   2HB   TYR  56          1HB       TYR  56   2.379   8.696  -7.708
  413    HD1  TYR  56           HD2      TYR  56  -0.082   8.520  -7.433
  414    HD2  TYR  56           HD1      TYR  56   2.074   5.982 -10.145
  415    HE1  TYR  56           HE2      TYR  56  -2.040   7.008  -7.580
  416    HE2  TYR  56           HE1      TYR  56   0.118   4.467 -10.285
  417    HH   TYR  56           HH       TYR  56  -2.702   5.061  -9.781
  418    H    GLY  57           H        GLY  57   4.502   8.816 -10.582
  419   1HA   GLY  57          2HA       GLY  57   6.566   9.837 -10.687
  420   2HA   GLY  57          1HA       GLY  57   5.682  11.355 -10.815
  421    H    VAL  58           H        VAL  58   5.663   9.047  -8.129
  422    HA   VAL  58           HA       VAL  58   6.315  11.203  -6.292
  423    HB   VAL  58           HB       VAL  58   4.480   9.604  -5.795
  424   1HG1  VAL  58          3HG1      VAL  58   5.609   7.591  -6.789
  425   2HG1  VAL  58          2HG1      VAL  58   6.699   7.576  -5.404
  426   3HG1  VAL  58          1HG1      VAL  58   4.973   7.313  -5.168
  427   1HG2  VAL  58          3HG2      VAL  58   6.078  10.786  -4.078
  428   2HG2  VAL  58          2HG2      VAL  58   4.926   9.573  -3.518
  429   3HG2  VAL  58          1HG2      VAL  58   6.620   9.141  -3.754
  430    H    SER  59           H        SER  59   7.644   8.072  -7.302
  431    HA   SER  59           HA       SER  59  10.333   8.961  -6.720
  432   1HB   SER  59          2HB       SER  59   9.316   6.565  -5.186
  433   2HB   SER  59          1HB       SER  59  10.885   7.351  -5.041
  434    HG   SER  59           HG       SER  59  10.015   8.766  -3.756
  435    H    ILE  60           H        ILE  60  11.684   6.611  -6.718
  436    HA   ILE  60           HA       ILE  60  10.735   5.161  -9.114
  437    HB   ILE  60           HB       ILE  60  13.612   5.971  -8.637
  438   1HG1  ILE  60          2HG1      ILE  60  12.236   7.971  -9.075
  439   2HG1  ILE  60          1HG1      ILE  60  13.263   7.610 -10.460
  440   1HG2  ILE  60          3HG2      ILE  60  12.977   3.888 -10.018
  441   2HG2  ILE  60          2HG2      ILE  60  12.328   5.024 -11.200
  442   3HG2  ILE  60          1HG2      ILE  60  14.041   5.069 -10.781
  443   1HD1  ILE  60          1HD1      ILE  60  10.859   6.164 -10.865
  444   2HD1  ILE  60          3HD1      ILE  60  10.385   7.781 -10.346
  445   3HD1  ILE  60          2HD1      ILE  60  11.422   7.577 -11.757
  446    HA   PRO  61           HA       PRO  61  12.222   2.276  -5.754
  447   1HB   PRO  61          2HB       PRO  61   9.838   1.065  -5.195
  448   2HB   PRO  61          1HB       PRO  61  10.409   2.528  -4.378
  449   1HG   PRO  61          2HG       PRO  61   8.281   2.221  -6.410
  450   2HG   PRO  61          1HG       PRO  61   8.484   3.465  -5.169
  451   1HD   PRO  61          2HD       PRO  61   9.098   3.716  -7.934
  452   2HD   PRO  61          1HD       PRO  61   9.511   4.869  -6.643
  453    H    ASP  62           H        ASP  62  13.326   1.088  -7.357
  454    HA   ASP  62           HA       ASP  62  11.750  -0.790  -8.988
  455   1HB   ASP  62          2HB       ASP  62  14.645   0.072  -9.144
  456   2HB   ASP  62          1HB       ASP  62  13.933  -1.178 -10.164
  457    H    ASP  63           H        ASP  63  14.102  -0.644  -6.402
  458    HA   ASP  63           HA       ASP  63  14.684  -3.477  -6.470
  459   1HB   ASP  63          2HB       ASP  63  16.225  -1.582  -5.621
  460   2HB   ASP  63          1HB       ASP  63  15.262  -1.659  -4.145
  461    H    VAL  64           H        VAL  64  13.158  -1.358  -4.031
  462    HA   VAL  64           HA       VAL  64  12.152  -3.481  -2.459
  463    HB   VAL  64           HB       VAL  64  12.435  -1.175  -1.618
  464   1HG1  VAL  64          2HG1      VAL  64  11.527  -0.131  -3.771
  465   2HG1  VAL  64          1HG1      VAL  64   9.919  -0.470  -3.130
  466   3HG1  VAL  64          3HG1      VAL  64  11.006   0.611  -2.258
  467   1HG2  VAL  64          1HG2      VAL  64  10.870  -2.781  -0.512
  468   2HG2  VAL  64          3HG2      VAL  64  10.385  -1.099  -0.299
  469   3HG2  VAL  64          2HG2      VAL  64   9.554  -2.114  -1.479
  470    H    ALA  65           H        ALA  65  10.646  -1.516  -5.004
  471    HA   ALA  65           HA       ALA  65   8.102  -2.841  -4.803
  472   1HB   ALA  65          3HB       ALA  65   8.718  -0.476  -5.797
  473   2HB   ALA  65          2HB       ALA  65   8.943  -1.399  -7.283
  474   3HB   ALA  65          1HB       ALA  65   7.380  -1.409  -6.467
  475    H    GLY  66           H        GLY  66  10.956  -3.149  -6.857
  476   1HA   GLY  66          2HA       GLY  66   9.899  -4.905  -8.788
  477   2HA   GLY  66          1HA       GLY  66  11.600  -4.777  -8.355
  478    H    ARG  67           H        ARG  67  11.098  -5.456  -5.541
  479    HA   ARG  67           HA       ARG  67  10.750  -8.366  -5.901
  480   1HB   ARG  67          2HB       ARG  67  12.305  -6.745  -3.883
  481   2HB   ARG  67          1HB       ARG  67  11.972  -8.463  -3.663
  482   1HG   ARG  67          2HG       ARG  67  13.081  -8.979  -5.787
  483   2HG   ARG  67          1HG       ARG  67  13.368  -7.262  -6.073
  484   1HD   ARG  67          2HD       ARG  67  14.795  -7.121  -4.114
  485   2HD   ARG  67          1HD       ARG  67  14.414  -8.780  -3.670
  486    HE   ARG  67           HE       ARG  67  15.663  -9.494  -5.655
  487   1HH1  ARG  67          2HH1      ARG  67  15.985  -7.360  -7.473
  488   2HH1  ARG  67          1HH1      ARG  67  17.476  -6.588  -7.046
  489   1HH2  ARG  67          1HH2      ARG  67  17.599  -7.989  -3.876
  490   2HH2  ARG  67          2HH2      ARG  67  18.390  -6.944  -5.009
  491    H    VAL  68           H        VAL  68   8.433  -6.830  -5.730
  492    HA   VAL  68           HA       VAL  68   7.502  -6.873  -2.979
  493    HB   VAL  68           HB       VAL  68   6.760  -5.098  -4.545
  494   1HG1  VAL  68          3HG1      VAL  68   6.576  -6.950  -6.455
  495   2HG1  VAL  68          2HG1      VAL  68   4.909  -7.023  -5.887
  496   3HG1  VAL  68          1HG1      VAL  68   5.571  -5.501  -6.483
  497   1HG2  VAL  68          1HG2      VAL  68   5.314  -6.339  -2.616
  498   2HG2  VAL  68          3HG2      VAL  68   4.723  -4.944  -3.520
  499   3HG2  VAL  68          2HG2      VAL  68   4.243  -6.572  -3.998
  500    H    ASP  69           H        ASP  69   7.012  -8.747  -2.064
  501    HA   ASP  69           HA       ASP  69   6.043 -10.978  -3.691
  502   1HB   ASP  69          2HB       ASP  69   6.252 -12.274  -1.569
  503   2HB   ASP  69          1HB       ASP  69   7.763 -11.513  -2.068
  504    H    THR  70           H        THR  70   4.920  -8.686  -1.302
  505    HA   THR  70           HA       THR  70   2.277 -10.012  -1.281
  506    HB   THR  70           HB       THR  70   1.994  -8.259   0.690
  507    HG1  THR  70           HG1      THR  70   4.069  -8.147   1.765
  508   1HG2  THR  70          1HG2      THR  70   2.097 -10.867   0.649
  509   2HG2  THR  70          3HG2      THR  70   3.738 -10.642   1.252
  510   3HG2  THR  70          2HG2      THR  70   2.367 -10.028   2.176
  511    HA   PRO  71           HA       PRO  71   0.686  -6.536  -3.511
  512   1HB   PRO  71          2HB       PRO  71  -1.944  -6.648  -2.783
  513   2HB   PRO  71          1HB       PRO  71  -1.188  -7.794  -3.901
  514   1HG   PRO  71          2HG       PRO  71  -1.984  -8.172  -1.071
  515   2HG   PRO  71          1HG       PRO  71  -1.886  -9.357  -2.380
  516   1HD   PRO  71          2HD       PRO  71   0.010  -9.005  -0.322
  517   2HD   PRO  71          1HD       PRO  71   0.259  -9.925  -1.826
  518    H    ARG  72           H        ARG  72  -0.326  -6.754  -0.116
  519    HA   ARG  72           HA       ARG  72  -1.216  -4.117   0.245
  520   1HB   ARG  72          2HB       ARG  72  -1.421  -6.097   1.860
  521   2HB   ARG  72          1HB       ARG  72   0.214  -5.689   2.382
  522   1HG   ARG  72          2HG       ARG  72  -0.995  -4.390   3.864
  523   2HG   ARG  72          1HG       ARG  72  -0.829  -3.244   2.535
  524   1HD   ARG  72          2HD       ARG  72  -3.024  -3.722   1.722
  525   2HD   ARG  72          1HD       ARG  72  -3.175  -5.134   2.762
  526    HE   ARG  72           HE       ARG  72  -2.938  -2.443   3.960
  527   1HH1  ARG  72          2HH1      ARG  72  -3.558  -3.795   6.160
  528   2HH1  ARG  72          1HH1      ARG  72  -5.244  -4.190   6.146
  529   1HH2  ARG  72          1HH2      ARG  72  -5.616  -3.645   2.741
  530   2HH2  ARG  72          2HH2      ARG  72  -6.409  -4.105   4.211
  531    H    GLU  73           H        GLU  73   1.999  -5.405  -0.051
  532    HA   GLU  73           HA       GLU  73   3.357  -3.224   1.222
  533   1HB   GLU  73          2HB       GLU  73   4.284  -5.576   0.780
  534   2HB   GLU  73          1HB       GLU  73   4.543  -5.034  -0.878
  535   1HG   GLU  73          2HG       GLU  73   6.170  -3.497  -0.271
  536   2HG   GLU  73          1HG       GLU  73   5.523  -3.300   1.357
  537    H    LEU  74           H        LEU  74   2.382  -4.012  -2.075
  538    HA   LEU  74           HA       LEU  74   3.794  -1.990  -3.437
  539   1HB   LEU  74          2HB       LEU  74   2.178  -4.012  -4.236
  540   2HB   LEU  74          1HB       LEU  74   1.079  -2.647  -4.434
  541    HG   LEU  74           HG       LEU  74   3.041  -1.488  -5.650
  542   1HD1  LEU  74          1HD1      LEU  74   3.977  -4.361  -5.530
  543   2HD1  LEU  74          3HD1      LEU  74   4.529  -3.247  -6.780
  544   3HD1  LEU  74          2HD1      LEU  74   4.871  -2.907  -5.084
  545   1HD2  LEU  74          3HD2      LEU  74   1.359  -3.764  -6.639
  546   2HD2  LEU  74          2HD2      LEU  74   1.285  -2.054  -7.063
  547   3HD2  LEU  74          1HD2      LEU  74   2.564  -3.072  -7.726
  548    H    LEU  75           H        LEU  75   0.527  -2.023  -2.048
  549    HA   LEU  75           HA       LEU  75  -0.210   0.607  -2.782
  550   1HB   LEU  75          2HB       LEU  75  -1.842  -1.060  -1.992
  551   2HB   LEU  75          1HB       LEU  75  -1.088  -1.061  -0.402
  552    HG   LEU  75           HG       LEU  75  -1.581   1.578  -0.610
  553   1HD1  LEU  75          1HD1      LEU  75  -3.755   0.234  -2.236
  554   2HD1  LEU  75          3HD1      LEU  75  -3.785   1.905  -1.672
  555   3HD1  LEU  75          2HD1      LEU  75  -2.577   1.392  -2.851
  556   1HD2  LEU  75          3HD2      LEU  75  -2.451  -0.390   0.966
  557   2HD2  LEU  75          2HD2      LEU  75  -3.218   1.198   0.978
  558   3HD2  LEU  75          1HD2      LEU  75  -3.943  -0.125   0.064
  559    H    ASP  76           H        ASP  76   1.206  -0.675   0.224
  560    HA   ASP  76           HA       ASP  76   1.436   1.866   1.487
  561   1HB   ASP  76          2HB       ASP  76   2.681  -0.827   1.988
  562   2HB   ASP  76          1HB       ASP  76   3.163   0.590   2.923
  563    H    LEU  77           H        LEU  77   3.201   0.466  -1.075
  564    HA   LEU  77           HA       LEU  77   5.747   1.672  -0.487
  565   1HB   LEU  77          2HB       LEU  77   5.098  -0.381  -2.065
  566   2HB   LEU  77          1HB       LEU  77   5.009   0.896  -3.271
  567    HG   LEU  77           HG       LEU  77   7.253  -0.069  -3.234
  568   1HD1  LEU  77          2HD1      LEU  77   6.807   2.482  -3.478
  569   2HD1  LEU  77          1HD1      LEU  77   7.522   2.601  -1.870
  570   3HD1  LEU  77          3HD1      LEU  77   8.465   1.943  -3.209
  571   1HD2  LEU  77          1HD2      LEU  77   6.921  -0.566  -0.643
  572   2HD2  LEU  77          3HD2      LEU  77   8.533  -0.347  -1.324
  573   3HD2  LEU  77          2HD2      LEU  77   7.745   0.985  -0.477
  574    H    ILE  78           H        ILE  78   3.523   2.192  -3.233
  575    HA   ILE  78           HA       ILE  78   4.653   4.701  -3.935
  576    HB   ILE  78           HB       ILE  78   1.877   3.666  -4.573
  577   1HG1  ILE  78          2HG1      ILE  78   4.131   3.479  -6.511
  578   2HG1  ILE  78          1HG1      ILE  78   4.161   2.347  -5.159
  579   1HG2  ILE  78          2HG2      ILE  78   2.298   6.098  -5.010
  580   2HG2  ILE  78          1HG2      ILE  78   3.648   5.638  -6.047
  581   3HG2  ILE  78          3HG2      ILE  78   2.004   5.172  -6.482
  582   1HD1  ILE  78          3HD1      ILE  78   1.636   1.970  -5.777
  583   2HD1  ILE  78          2HD1      ILE  78   2.115   2.632  -7.339
  584   3HD1  ILE  78          1HD1      ILE  78   2.890   1.171  -6.725
  585    H    ASN  79           H        ASN  79   1.858   3.781  -2.019
  586    HA   ASN  79           HA       ASN  79   0.718   6.299  -1.584
  587   1HB   ASN  79          2HB       ASN  79  -0.271   4.050  -0.991
  588   2HB   ASN  79          1HB       ASN  79   0.782   4.041   0.424
  589   1HD2  ASN  79          2HD2      ASN  79  -2.641   5.680   1.041
  590   2HD2  ASN  79          1HD2      ASN  79  -2.257   4.284   0.156
  591    H    GLY  80           H        GLY  80   3.051   4.507   0.440
  592   1HA   GLY  80          2HA       GLY  80   3.352   6.486   2.426
  593   2HA   GLY  80          1HA       GLY  80   4.522   5.221   2.066
  594    H    ALA  81           H        ALA  81   4.946   6.018  -0.679
  595    HA   ALA  81           HA       ALA  81   7.042   7.893  -0.297
  596   1HB   ALA  81          1HB       ALA  81   6.857   6.120  -2.130
  597   2HB   ALA  81          3HB       ALA  81   5.777   7.242  -2.958
  598   3HB   ALA  81          2HB       ALA  81   7.445   7.706  -2.627
  599    H    LEU  82           H        LEU  82   3.710   8.188  -1.353
  600    HA   LEU  82           HA       LEU  82   3.897  10.839  -2.373
  601   1HB   LEU  82          2HB       LEU  82   1.936   8.904  -2.342
  602   2HB   LEU  82          1HB       LEU  82   1.300  10.091  -1.205
  603    HG   LEU  82           HG       LEU  82   2.447  11.102  -3.772
  604   1HD1  LEU  82          2HD1      LEU  82  -0.234   9.714  -3.498
  605   2HD1  LEU  82          1HD1      LEU  82   0.194  10.769  -4.845
  606   3HD1  LEU  82          3HD1      LEU  82   1.084   9.270  -4.581
  607   1HD2  LEU  82          3HD2      LEU  82   0.491  11.910  -1.680
  608   2HD2  LEU  82          2HD2      LEU  82   1.649  12.893  -2.577
  609   3HD2  LEU  82          1HD2      LEU  82   0.123  12.422  -3.327
  610    H    ALA  83           H        ALA  83   3.427   9.481   0.818
  611    HA   ALA  83           HA       ALA  83   2.454  11.768   2.150
  612   1HB   ALA  83          3HB       ALA  83   2.555   9.435   3.099
  613   2HB   ALA  83          2HB       ALA  83   4.289   9.669   3.326
  614   3HB   ALA  83          1HB       ALA  83   3.140  10.691   4.190
  615    H    GLU  84           H        GLU  84   5.686  10.763   1.225
  616    HA   GLU  84           HA       GLU  84   6.782  13.234   2.430
  617   1HB   GLU  84          2HB       GLU  84   7.966  10.528   1.898
  618   2HB   GLU  84          1HB       GLU  84   9.016  11.945   1.950
  619   1HG   GLU  84          2HG       GLU  84   7.012  11.547   4.145
  620   2HG   GLU  84          1HG       GLU  84   8.497  10.594   4.163
  621    H    ALA  85           H        ALA  85   5.397  13.544   0.095
  622    HA   ALA  85           HA       ALA  85   7.368  13.576  -2.082
  623   1HB   ALA  85          2HB       ALA  85   5.086  12.724  -2.556
  624   2HB   ALA  85          1HB       ALA  85   4.428  14.305  -2.130
  625   3HB   ALA  85          3HB       ALA  85   5.486  14.138  -3.531
  626    H    ALA  86           HN       ALA  86   8.022  15.289  -0.036
  627    HA   ALA  86           HA       ALA  86   8.639  17.467   0.368
  628   1HB   ALA  86          3HB       ALA  86   9.069  17.150  -2.252
  629   2HB   ALA  86          2HB       ALA  86   7.792  18.363  -2.342
  630   3HB   ALA  86          1HB       ALA  86   9.275  18.708  -1.452
   
  No H/Q in entry =         630
  Start of MODEL   18
    1   1H    MET   1          2H        MET   1  -1.440  17.974  -0.005
    2   2H    MET   1          1H        MET   1  -2.817  18.726  -0.658
    3   3H    MET   1          3H        MET   1  -2.578  18.709   1.021
    4    HA   MET   1           HA       MET   1  -4.220  17.079   0.522
    5   1HB   MET   1          2HB       MET   1  -2.205  16.307  -1.580
    6   2HB   MET   1          1HB       MET   1  -3.379  15.130  -0.992
    7   1HG   MET   1          2HG       MET   1  -4.368  17.839  -1.794
    8   2HG   MET   1          1HG       MET   1  -3.945  16.691  -3.065
    9   1HE   MET   1          1HE       MET   1  -5.928  17.964  -0.514
   10   2HE   MET   1          3HE       MET   1  -7.351  17.757  -1.544
   11   3HE   MET   1          2HE       MET   1  -7.203  16.841  -0.046
   12    H    ALA   2           H        ALA   2  -3.932  14.580   0.978
   13    HA   ALA   2           HA       ALA   2  -1.645  14.230   2.823
   14   1HB   ALA   2          3HB       ALA   2  -4.546  13.498   3.266
   15   2HB   ALA   2          2HB       ALA   2  -3.225  12.884   4.259
   16   3HB   ALA   2          1HB       ALA   2  -3.566  14.614   4.216
   17    H    THR   3           H        THR   3  -4.263  12.503   1.133
   18    HA   THR   3           HA       THR   3  -2.390  10.622  -0.007
   19    HB   THR   3           HB       THR   3  -4.522   9.324   1.639
   20    HG1  THR   3           HG1      THR   3  -3.533   9.738   3.436
   21   1HG2  THR   3          1HG2      THR   3  -1.938   8.636   0.328
   22   2HG2  THR   3          3HG2      THR   3  -2.345   7.767   1.809
   23   3HG2  THR   3          2HG2      THR   3  -3.434   7.706   0.424
   24    H    LEU   4           H        LEU   4  -3.490   9.065  -1.441
   25    HA   LEU   4           HA       LEU   4  -6.268   9.547  -2.076
   26   1HB   LEU   4          2HB       LEU   4  -5.626  10.027  -4.542
   27   2HB   LEU   4          1HB       LEU   4  -5.628  11.347  -3.386
   28    HG   LEU   4           HG       LEU   4  -3.638  11.256  -4.966
   29   1HD1  LEU   4          2HD1      LEU   4  -3.818  12.137  -2.405
   30   2HD1  LEU   4          1HD1      LEU   4  -2.445  11.038  -2.277
   31   3HD1  LEU   4          3HD1      LEU   4  -2.404  12.369  -3.432
   32   1HD2  LEU   4          2HD2      LEU   4  -3.419   8.694  -4.672
   33   2HD2  LEU   4          1HD2      LEU   4  -1.936   9.645  -4.705
   34   3HD2  LEU   4          3HD2      LEU   4  -2.581   9.076  -3.168
   35    H    LEU   5           H        LEU   5  -4.448   7.320  -1.367
   36    HA   LEU   5           HA       LEU   5  -5.203   5.537  -3.590
   37   1HB   LEU   5          2HB       LEU   5  -2.555   6.261  -3.037
   38   2HB   LEU   5          1HB       LEU   5  -2.736   4.674  -2.292
   39    HG   LEU   5           HG       LEU   5  -3.788   3.907  -4.489
   40   1HD1  LEU   5          3HD1      LEU   5  -3.998   6.473  -5.132
   41   2HD1  LEU   5          2HD1      LEU   5  -2.372   6.218  -5.763
   42   3HD1  LEU   5          1HD1      LEU   5  -3.718   5.255  -6.376
   43   1HD2  LEU   5          2HD2      LEU   5  -0.949   4.592  -3.957
   44   2HD2  LEU   5          1HD2      LEU   5  -1.674   3.036  -4.367
   45   3HD2  LEU   5          3HD2      LEU   5  -1.340   4.216  -5.636
   46    H    THR   6           H        THR   6  -6.039   3.606  -2.969
   47    HA   THR   6           HA       THR   6  -5.920   2.927  -0.093
   48    HB   THR   6           HB       THR   6  -8.327   2.085  -0.421
   49    HG1  THR   6           HG1      THR   6  -8.119   3.920  -2.573
   50   1HG2  THR   6          1HG2      THR   6  -7.380   4.907  -0.183
   51   2HG2  THR   6          3HG2      THR   6  -9.114   4.630  -0.340
   52   3HG2  THR   6          2HG2      THR   6  -8.222   3.903   0.996
   53    H    THR   7           H        THR   7  -7.065   0.645   0.137
   54    HA   THR   7           HA       THR   7  -5.355  -1.260  -1.035
   55    HB   THR   7           HB       THR   7  -8.104  -1.882   0.045
   56    HG1  THR   7           HG1      THR   7  -5.707  -1.257   1.418
   57   1HG2  THR   7          3HG2      THR   7  -5.933  -3.452  -0.860
   58   2HG2  THR   7          2HG2      THR   7  -5.933  -3.575   0.899
   59   3HG2  THR   7          1HG2      THR   7  -7.379  -4.006  -0.014
   60    H    ASP   8           H        ASP   8  -8.754  -0.463  -1.729
   61    HA   ASP   8           HA       ASP   8  -9.179  -2.281  -3.815
   62   1HB   ASP   8          2HB       ASP   8 -10.876  -0.713  -2.675
   63   2HB   ASP   8          1HB       ASP   8 -10.330   0.504  -3.830
   64    H    ASP   9           H        ASP   9  -7.363   0.686  -3.726
   65    HA   ASP   9           HA       ASP   9  -7.285   1.183  -6.533
   66   1HB   ASP   9          2HB       ASP   9  -6.718   2.840  -4.683
   67   2HB   ASP   9          1HB       ASP   9  -5.174   1.999  -4.536
   68    H    LEU  10           H        LEU  10  -5.041  -0.435  -4.263
   69    HA   LEU  10           HA       LEU  10  -3.063  -1.035  -6.179
   70   1HB   LEU  10          2HB       LEU  10  -2.028  -2.327  -4.551
   71   2HB   LEU  10          1HB       LEU  10  -3.017  -1.268  -3.559
   72    HG   LEU  10           HG       LEU  10  -4.786  -3.257  -3.862
   73   1HD1  LEU  10          3HD1      LEU  10  -2.113  -4.394  -4.555
   74   2HD1  LEU  10          2HD1      LEU  10  -3.196  -5.372  -3.565
   75   3HD1  LEU  10          1HD1      LEU  10  -3.709  -4.832  -5.163
   76   1HD2  LEU  10          3HD2      LEU  10  -3.872  -2.407  -1.718
   77   2HD2  LEU  10          2HD2      LEU  10  -3.983  -4.168  -1.723
   78   3HD2  LEU  10          1HD2      LEU  10  -2.422  -3.381  -1.965
   79    H    ARG  11           H        ARG  11  -6.045  -2.643  -5.318
   80    HA   ARG  11           HA       ARG  11  -5.616  -5.087  -6.686
   81   1HB   ARG  11          2HB       ARG  11  -7.594  -4.114  -5.075
   82   2HB   ARG  11          1HB       ARG  11  -8.386  -4.056  -6.647
   83   1HG   ARG  11          2HG       ARG  11  -7.776  -6.431  -7.026
   84   2HG   ARG  11          1HG       ARG  11  -7.041  -6.484  -5.424
   85   1HD   ARG  11          2HD       ARG  11  -9.246  -7.374  -5.172
   86   2HD   ARG  11          1HD       ARG  11  -9.286  -5.750  -4.494
   87    HE   ARG  11           HE       ARG  11 -10.130  -6.114  -7.291
   88   1HH1  ARG  11          1HH2      ARG  11 -10.617  -3.629  -5.564
   89   2HH1  ARG  11          2HH2      ARG  11 -12.297  -3.803  -5.183
   90   1HH2  ARG  11          2HH1      ARG  11 -12.433  -7.142  -6.107
   91   2HH2  ARG  11          1HH1      ARG  11 -13.326  -5.792  -5.490
   92    H    ARG  12           H        ARG  12  -7.187  -2.060  -7.670
   93    HA   ARG  12           HA       ARG  12  -7.975  -2.855 -10.246
   94   1HB   ARG  12          2HB       ARG  12  -8.500  -0.673  -8.898
   95   2HB   ARG  12          1HB       ARG  12  -7.065  -0.049  -9.714
   96   1HG   ARG  12          2HG       ARG  12  -8.261  -1.133 -11.842
   97   2HG   ARG  12          1HG       ARG  12  -9.702  -0.851 -10.865
   98   1HD   ARG  12          2HD       ARG  12  -8.406   1.521 -10.536
   99   2HD   ARG  12          1HD       ARG  12  -7.889   1.095 -12.163
  100    HE   ARG  12           HE       ARG  12 -10.156   1.220 -12.873
  101   1HH1  ARG  12          2HH1      ARG  12 -12.067   0.364 -11.107
  102   2HH1  ARG  12          1HH1      ARG  12 -12.589   1.735 -10.186
  103   1HH2  ARG  12          1HH2      ARG  12  -9.817   3.659 -10.982
  104   2HH2  ARG  12          2HH2      ARG  12 -11.315   3.601 -10.116
  105    H    ALA  13           H        ALA  13  -4.907  -1.653  -9.020
  106    HA   ALA  13           HA       ALA  13  -3.698  -1.229 -11.580
  107   1HB   ALA  13          1HB       ALA  13  -2.699  -1.414  -8.762
  108   2HB   ALA  13          3HB       ALA  13  -1.543  -1.502 -10.092
  109   3HB   ALA  13          2HB       ALA  13  -2.571  -0.081  -9.909
  110    H    LEU  14           H        LEU  14  -4.025  -3.956  -9.410
  111    HA   LEU  14           HA       LEU  14  -2.095  -5.604 -10.781
  112   1HB   LEU  14          2HB       LEU  14  -4.060  -6.010  -8.559
  113   2HB   LEU  14          1HB       LEU  14  -3.375  -7.419  -9.369
  114    HG   LEU  14           HG       LEU  14  -1.395  -5.339  -8.668
  115   1HD1  LEU  14          3HD1      LEU  14  -3.216  -6.526  -6.634
  116   2HD1  LEU  14          2HD1      LEU  14  -1.495  -6.515  -6.244
  117   3HD1  LEU  14          1HD1      LEU  14  -2.328  -5.002  -6.600
  118   1HD2  LEU  14          3HD2      LEU  14  -1.670  -8.304  -8.757
  119   2HD2  LEU  14          2HD2      LEU  14  -0.348  -7.281  -9.317
  120   3HD2  LEU  14          1HD2      LEU  14  -0.507  -7.654  -7.601
  121    H    VAL  15           H        VAL  15  -5.453  -4.852 -11.189
  122    HA   VAL  15           HA       VAL  15  -6.015  -7.256 -12.735
  123    HB   VAL  15           HB       VAL  15  -7.743  -4.802 -12.338
  124   1HG1  VAL  15          3HG1      VAL  15  -8.167  -7.555 -13.484
  125   2HG1  VAL  15          2HG1      VAL  15  -9.516  -6.671 -12.770
  126   3HG1  VAL  15          1HG1      VAL  15  -8.649  -5.994 -14.149
  127   1HG2  VAL  15          3HG2      VAL  15  -6.905  -6.408 -10.319
  128   2HG2  VAL  15          2HG2      VAL  15  -8.505  -5.671 -10.358
  129   3HG2  VAL  15          1HG2      VAL  15  -8.290  -7.339 -10.888
  130    H    GLU  16           H        GLU  16  -5.135  -3.916 -13.257
  131    HA   GLU  16           HA       GLU  16  -5.946  -3.555 -15.908
  132   1HB   GLU  16          2HB       GLU  16  -3.716  -2.419 -14.255
  133   2HB   GLU  16          1HB       GLU  16  -3.806  -2.051 -15.978
  134   1HG   GLU  16          2HG       GLU  16  -6.269  -1.765 -14.286
  135   2HG   GLU  16          1HG       GLU  16  -5.043  -0.498 -14.249
  136    H    CYS  17           H        CYS  17  -3.304  -5.413 -14.586
  137    HA   CYS  17           HA       CYS  17  -1.667  -5.616 -16.866
  138   1HB   CYS  17          2HB       CYS  17  -2.142  -7.668 -14.689
  139   2HB   CYS  17          1HB       CYS  17  -0.803  -7.681 -15.836
  140    HG   CYS  17           HG       CYS  17  -0.158  -5.255 -14.772
  141    H    ALA  18           H        ALA  18  -4.438  -7.551 -15.791
  142    HA   ALA  18           HA       ALA  18  -4.452  -8.875 -18.440
  143   1HB   ALA  18          3HB       ALA  18  -5.079  -9.853 -15.699
  144   2HB   ALA  18          2HB       ALA  18  -6.069 -10.468 -17.022
  145   3HB   ALA  18          1HB       ALA  18  -4.321 -10.694 -17.049
  146    H    GLY  19           H        GLY  19  -6.855  -8.342 -15.866
  147   1HA   GLY  19          2HA       GLY  19  -8.681  -6.762 -16.107
  148   2HA   GLY  19          1HA       GLY  19  -8.594  -7.004 -17.851
  149    H    GLU  20           H        GLU  20 -10.546  -7.556 -15.396
  150    HA   GLU  20           HA       GLU  20 -12.285  -9.000 -14.980
  151   1HB   GLU  20          2HB       GLU  20 -11.679  -9.766 -17.841
  152   2HB   GLU  20          1HB       GLU  20 -13.043 -10.416 -16.930
  153   1HG   GLU  20          2HG       GLU  20 -13.570  -7.894 -16.436
  154   2HG   GLU  20          1HG       GLU  20 -12.560  -7.596 -17.852
  155    H    THR  21           H        THR  21 -11.438 -10.229 -13.371
  156    HA   THR  21           HA       THR  21 -10.343 -11.948 -12.294
  157    HB   THR  21           HB       THR  21 -12.373 -13.083 -12.689
  158    HG1  THR  21           HG1      THR  21 -11.489 -14.934 -12.354
  159   1HG2  THR  21          2HG2      THR  21 -11.380 -13.518 -15.513
  160   2HG2  THR  21          1HG2      THR  21 -12.835 -14.248 -14.840
  161   3HG2  THR  21          3HG2      THR  21 -12.730 -12.499 -15.018
  162    H    ASP  22           H        ASP  22  -8.213 -11.814 -12.490
  163    HA   ASP  22           HA       ASP  22  -6.899 -12.942 -14.867
  164   1HB   ASP  22          2HB       ASP  22  -4.825 -11.961 -13.879
  165   2HB   ASP  22          1HB       ASP  22  -6.072 -10.759 -14.213
  166    H    GLY  23           H        GLY  23  -8.255 -14.555 -12.746
  167   1HA   GLY  23          2HA       GLY  23  -7.696 -16.774 -12.123
  168   2HA   GLY  23          1HA       GLY  23  -5.989 -16.342 -12.194
  169    H    THR  24           H        THR  24  -8.855 -15.106 -10.465
  170    HA   THR  24           HA       THR  24  -7.724 -15.779  -7.893
  171    HB   THR  24           HB       THR  24  -8.355 -12.887  -8.093
  172    HG1  THR  24           HG1      THR  24  -5.852 -13.910  -8.931
  173   1HG2  THR  24          3HG2      THR  24  -6.274 -14.568  -6.671
  174   2HG2  THR  24          2HG2      THR  24  -6.408 -12.816  -6.511
  175   3HG2  THR  24          1HG2      THR  24  -7.724 -13.855  -5.964
  176    H    ASP  25           H        ASP  25  -9.334 -16.290  -6.600
  177    HA   ASP  25           HA       ASP  25 -12.066 -15.514  -7.345
  178   1HB   ASP  25          2HB       ASP  25 -10.919 -17.715  -5.644
  179   2HB   ASP  25          1HB       ASP  25 -12.619 -17.262  -5.515
  180    H    LEU  26           H        LEU  26 -11.810 -13.352  -6.561
  181    HA   LEU  26           HA       LEU  26 -11.151 -12.666  -3.908
  182   1HB   LEU  26          2HB       LEU  26 -12.614 -11.309  -6.145
  183   2HB   LEU  26          1HB       LEU  26 -12.698 -10.614  -4.529
  184    HG   LEU  26           HG       LEU  26 -10.837  -9.642  -5.841
  185   1HD1  LEU  26          1HD1      LEU  26 -10.766 -10.182  -3.282
  186   2HD1  LEU  26          3HD1      LEU  26  -9.566 -11.387  -3.751
  187   3HD1  LEU  26          2HD1      LEU  26  -9.284  -9.682  -4.097
  188   1HD2  LEU  26          2HD2      LEU  26 -10.409 -11.712  -7.205
  189   2HD2  LEU  26          1HD2      LEU  26  -8.944 -11.006  -6.522
  190   3HD2  LEU  26          3HD2      LEU  26  -9.660 -12.439  -5.784
  191    H    SER  27           H        SER  27 -12.208 -14.075  -2.524
  192    HA   SER  27           HA       SER  27 -15.118 -13.604  -2.246
  193   1HB   SER  27          2HB       SER  27 -13.542 -16.138  -2.118
  194   2HB   SER  27          1HB       SER  27 -14.934 -15.964  -1.053
  195    HG   SER  27           HG       SER  27 -14.840 -16.418  -3.715
  196    H    GLY  28           H        GLY  28 -12.955 -12.109  -1.032
  197   1HA   GLY  28          2HA       GLY  28 -13.819 -11.627   1.491
  198   2HA   GLY  28          1HA       GLY  28 -12.728 -12.990   1.719
  199    H    ASP  29           H        ASP  29 -10.566 -12.657   1.729
  200    HA   ASP  29           HA       ASP  29  -9.660  -9.867   1.418
  201   1HB   ASP  29          2HB       ASP  29  -8.377 -12.196   2.869
  202   2HB   ASP  29          1HB       ASP  29  -7.703 -10.570   2.762
  203    H    PHE  30           H        PHE  30  -7.332  -9.680   0.673
  204    HA   PHE  30           HA       PHE  30  -6.459 -11.746  -1.181
  205   1HB   PHE  30          2HB       PHE  30  -6.460 -10.347  -3.144
  206   2HB   PHE  30          1HB       PHE  30  -8.086 -10.371  -2.476
  207    HD1  PHE  30           HD2      PHE  30  -8.416  -8.424  -0.544
  208    HD2  PHE  30           HD1      PHE  30  -5.701  -8.281  -3.872
  209    HE1  PHE  30           HE2      PHE  30  -8.393  -5.952  -0.422
  210    HE2  PHE  30           HE1      PHE  30  -5.682  -5.808  -3.748
  211    HZ   PHE  30           HZ       PHE  30  -7.029  -4.644  -2.026
  212    H    LEU  31           H        LEU  31  -5.462 -10.469   1.255
  213    HA   LEU  31           HA       LEU  31  -2.905  -9.482   0.165
  214   1HB   LEU  31          2HB       LEU  31  -4.378  -8.363   2.558
  215   2HB   LEU  31          1HB       LEU  31  -2.758  -7.886   2.039
  216    HG   LEU  31           HG       LEU  31  -5.098  -7.783   0.140
  217   1HD1  LEU  31          1HD1      LEU  31  -4.507  -6.008   2.422
  218   2HD1  LEU  31          3HD1      LEU  31  -4.713  -5.176   0.880
  219   3HD1  LEU  31          2HD1      LEU  31  -6.000  -6.211   1.503
  220   1HD2  LEU  31          3HD2      LEU  31  -2.302  -6.684   0.279
  221   2HD2  LEU  31          2HD2      LEU  31  -3.092  -7.547  -1.040
  222   3HD2  LEU  31          1HD2      LEU  31  -3.517  -5.868  -0.705
  223    H    ASP  32           H        ASP  32  -3.686 -12.124   1.008
  224    HA   ASP  32           HA       ASP  32  -1.920 -12.463   3.361
  225   1HB   ASP  32          2HB       ASP  32  -4.485 -13.767   2.600
  226   2HB   ASP  32          1HB       ASP  32  -3.250 -14.798   3.322
  227    H    LEU  33           H        LEU  33  -2.983 -13.811   0.268
  228    HA   LEU  33           HA       LEU  33  -0.294 -14.914  -0.145
  229   1HB   LEU  33          2HB       LEU  33  -2.177 -16.619   0.710
  230   2HB   LEU  33          1HB       LEU  33  -2.578 -16.622  -1.008
  231    HG   LEU  33           HG       LEU  33  -0.090 -17.021  -1.442
  232   1HD1  LEU  33          1HD1      LEU  33  -0.201 -17.651   1.525
  233   2HD1  LEU  33          3HD1      LEU  33   1.148 -18.039   0.458
  234   3HD1  LEU  33          2HD1      LEU  33   0.731 -16.356   0.774
  235   1HD2  LEU  33          2HD2      LEU  33  -2.063 -18.920  -0.265
  236   2HD2  LEU  33          1HD2      LEU  33  -1.284 -18.946  -1.847
  237   3HD2  LEU  33          3HD2      LEU  33  -0.403 -19.494  -0.421
  238    H    ARG  34           H        ARG  34  -0.737 -12.709  -1.346
  239    HA   ARG  34           HA       ARG  34  -2.061 -13.170  -3.930
  240   1HB   ARG  34          2HB       ARG  34  -2.502 -11.075  -2.566
  241   2HB   ARG  34          1HB       ARG  34  -0.851 -10.581  -2.942
  242   1HG   ARG  34          2HG       ARG  34  -2.286  -9.581  -4.599
  243   2HG   ARG  34          1HG       ARG  34  -1.415 -10.895  -5.389
  244   1HD   ARG  34          2HD       ARG  34  -3.302 -12.117  -5.713
  245   2HD   ARG  34          1HD       ARG  34  -3.955 -11.712  -4.130
  246    HE   ARG  34           HE       ARG  34  -5.003  -9.829  -5.082
  247   1HH1  ARG  34          1HH2      ARG  34  -2.577  -9.262  -6.965
  248   2HH1  ARG  34          2HH2      ARG  34  -3.343  -9.413  -8.510
  249   1HH2  ARG  34          2HH1      ARG  34  -6.168 -10.981  -7.252
  250   2HH2  ARG  34          1HH1      ARG  34  -5.376 -10.388  -8.673
  251    H    PHE  35           H        PHE  35   0.928 -11.493  -2.912
  252    HA   PHE  35           HA       PHE  35   2.184 -11.911  -5.455
  253   1HB   PHE  35          2HB       PHE  35   3.089 -10.832  -2.806
  254   2HB   PHE  35          1HB       PHE  35   4.275 -11.199  -4.057
  255    HD1  PHE  35           HD1      PHE  35   0.963  -9.480  -3.656
  256    HD2  PHE  35           HD2      PHE  35   4.792  -9.526  -5.616
  257    HE1  PHE  35           HE1      PHE  35   0.421  -7.335  -4.778
  258    HE2  PHE  35           HE2      PHE  35   4.242  -7.390  -6.729
  259    HZ   PHE  35           HZ       PHE  35   2.066  -6.291  -6.314
  260    H    GLU  36           H        GLU  36   2.217 -13.558  -2.356
  261    HA   GLU  36           HA       GLU  36   4.259 -15.436  -3.341
  262   1HB   GLU  36          2HB       GLU  36   4.221 -16.300  -0.989
  263   2HB   GLU  36          1HB       GLU  36   4.716 -14.613  -1.127
  264   1HG   GLU  36          2HG       GLU  36   2.677 -13.811  -0.288
  265   2HG   GLU  36          1HG       GLU  36   1.823 -15.307  -0.671
  266    H    ASP  37           H        ASP  37   2.242 -15.883  -4.826
  267    HA   ASP  37           HA       ASP  37   0.873 -18.236  -3.669
  268   1HB   ASP  37          2HB       ASP  37  -0.579 -16.116  -4.083
  269   2HB   ASP  37          1HB       ASP  37  -0.424 -16.544  -5.787
  270    H    ILE  38           H        ILE  38   1.257 -16.665  -6.856
  271    HA   ILE  38           HA       ILE  38   1.895 -19.317  -7.979
  272    HB   ILE  38           HB       ILE  38   1.238 -18.419 -10.144
  273   1HG1  ILE  38          2HG1      ILE  38   0.462 -15.825  -8.803
  274   2HG1  ILE  38          1HG1      ILE  38   2.063 -16.024  -9.515
  275   1HG2  ILE  38          1HG2      ILE  38  -0.450 -19.045  -8.164
  276   2HG2  ILE  38          3HG2      ILE  38  -0.917 -17.358  -8.375
  277   3HG2  ILE  38          2HG2      ILE  38  -1.028 -18.481  -9.732
  278   1HD1  ILE  38          1HD1      ILE  38   0.969 -16.691 -11.664
  279   2HD1  ILE  38          3HD1      ILE  38  -0.596 -16.324 -10.938
  280   3HD1  ILE  38          2HD1      ILE  38   0.589 -15.039 -11.178
  281    H    GLY  39           H        GLY  39   3.802 -17.579  -6.524
  282   1HA   GLY  39          2HA       GLY  39   6.013 -16.952  -6.714
  283   2HA   GLY  39          1HA       GLY  39   6.049 -17.878  -8.214
  284    H    TYR  40           H        TYR  40   4.221 -14.995  -7.222
  285    HA   TYR  40           HA       TYR  40   4.355 -13.710  -9.717
  286   1HB   TYR  40          2HB       TYR  40   3.334 -13.112  -7.090
  287   2HB   TYR  40          1HB       TYR  40   4.187 -11.701  -7.706
  288    HD1  TYR  40           HD2      TYR  40   1.492 -14.161  -8.473
  289    HD2  TYR  40           HD1      TYR  40   3.303 -10.392  -9.487
  290    HE1  TYR  40           HE2      TYR  40  -0.424 -13.635  -9.957
  291    HE2  TYR  40           HE1      TYR  40   1.383  -9.873 -10.971
  292    HH   TYR  40           HH       TYR  40  -0.845 -12.178 -11.971
  293    H    ASP  41           H        ASP  41   6.461 -13.729 -10.509
  294    HA   ASP  41           HA       ASP  41   8.683 -12.691  -9.044
  295   1HB   ASP  41          2HB       ASP  41   9.796 -12.649 -11.319
  296   2HB   ASP  41          1HB       ASP  41   9.186 -14.222 -10.816
  297    H    SER  42           H        SER  42   9.891 -10.785  -9.669
  298    HA   SER  42           HA       SER  42   8.379  -8.435  -9.561
  299   1HB   SER  42          2HB       SER  42  10.708  -8.458  -8.877
  300   2HB   SER  42          1HB       SER  42  11.221  -8.835 -10.519
  301    HG   SER  42           HG       SER  42   9.750  -6.525  -9.767
  302    H    LEU  43           H        LEU  43   9.453 -10.302 -12.312
  303    HA   LEU  43           HA       LEU  43   9.241  -8.362 -14.333
  304   1HB   LEU  43          2HB       LEU  43  10.153 -10.757 -14.505
  305   2HB   LEU  43          1HB       LEU  43   8.473 -11.249 -14.723
  306    HG   LEU  43           HG       LEU  43   8.366  -9.458 -16.567
  307   1HD1  LEU  43          1HD1      LEU  43  11.360  -9.698 -16.160
  308   2HD1  LEU  43          3HD1      LEU  43  10.620  -9.017 -17.609
  309   3HD1  LEU  43          2HD1      LEU  43  10.385  -8.232 -16.048
  310   1HD2  LEU  43          1HD2      LEU  43  10.066 -11.955 -16.795
  311   2HD2  LEU  43          3HD2      LEU  43   8.351 -11.785 -17.169
  312   3HD2  LEU  43          2HD2      LEU  43   9.558 -11.012 -18.195
  313    H    ALA  44           H        ALA  44   6.805 -10.489 -12.894
  314    HA   ALA  44           HA       ALA  44   4.687  -9.862 -14.659
  315   1HB   ALA  44          3HB       ALA  44   4.859 -10.999 -11.896
  316   2HB   ALA  44          2HB       ALA  44   3.288 -10.486 -12.513
  317   3HB   ALA  44          1HB       ALA  44   4.211 -11.724 -13.367
  318    H    LEU  45           H        LEU  45   5.507  -8.555 -11.451
  319    HA   LEU  45           HA       LEU  45   3.530  -6.428 -11.781
  320   1HB   LEU  45          2HB       LEU  45   4.278  -5.766  -9.474
  321   2HB   LEU  45          1HB       LEU  45   3.594  -7.378  -9.616
  322    HG   LEU  45           HG       LEU  45   6.457  -7.465 -10.081
  323   1HD1  LEU  45          1HD1      LEU  45   5.456  -6.099  -7.590
  324   2HD1  LEU  45          3HD1      LEU  45   6.946  -7.038  -7.577
  325   3HD1  LEU  45          2HD1      LEU  45   6.799  -5.633  -8.635
  326   1HD2  LEU  45          3HD2      LEU  45   4.460  -8.716  -8.205
  327   2HD2  LEU  45          2HD2      LEU  45   5.408  -9.482  -9.478
  328   3HD2  LEU  45          1HD2      LEU  45   6.187  -8.989  -7.975
  329    H    MET  46           H        MET  46   6.353  -6.733 -13.147
  330    HA   MET  46           HA       MET  46   7.830  -4.430 -12.347
  331   1HB   MET  46          2HB       MET  46   8.384  -6.569 -13.955
  332   2HB   MET  46          1HB       MET  46   8.117  -5.310 -15.156
  333   1HG   MET  46          2HG       MET  46   9.715  -3.846 -13.889
  334   2HG   MET  46          1HG       MET  46  10.064  -5.217 -12.836
  335   1HE   MET  46          1HE       MET  46   9.966  -3.557 -15.937
  336   2HE   MET  46          3HE       MET  46  11.661  -3.725 -16.416
  337   3HE   MET  46          2HE       MET  46  10.417  -4.686 -17.211
  338    H    GLU  47           H        GLU  47   5.475  -5.075 -14.915
  339    HA   GLU  47           HA       GLU  47   5.624  -2.427 -16.023
  340   1HB   GLU  47          2HB       GLU  47   4.787  -4.686 -17.104
  341   2HB   GLU  47          1HB       GLU  47   3.237  -4.183 -16.429
  342   1HG   GLU  47          2HG       GLU  47   3.084  -3.061 -18.424
  343   2HG   GLU  47          1HG       GLU  47   4.004  -1.847 -17.536
  344    H    THR  48           H        THR  48   3.718  -4.008 -13.553
  345    HA   THR  48           HA       THR  48   1.579  -2.163 -13.414
  346    HB   THR  48           HB       THR  48   2.746  -3.709 -11.092
  347    HG1  THR  48           HG1      THR  48   1.749  -5.439 -11.847
  348   1HG2  THR  48          3HG2      THR  48   0.903  -1.886 -10.848
  349   2HG2  THR  48          2HG2      THR  48  -0.147  -3.073 -11.622
  350   3HG2  THR  48          1HG2      THR  48   0.639  -3.456 -10.090
  351    H    ALA  49           H        ALA  49   4.601  -2.374 -11.535
  352    HA   ALA  49           HA       ALA  49   4.137   0.076 -10.131
  353   1HB   ALA  49          1HB       ALA  49   6.450  -1.800 -10.425
  354   2HB   ALA  49          3HB       ALA  49   6.731  -0.191  -9.757
  355   3HB   ALA  49          2HB       ALA  49   5.600  -1.290  -8.966
  356    H    ALA  50           H        ALA  50   5.714  -0.797 -13.130
  357    HA   ALA  50           HA       ALA  50   7.228   1.555 -13.527
  358   1HB   ALA  50          1HB       ALA  50   6.176  -0.609 -15.295
  359   2HB   ALA  50          3HB       ALA  50   6.764   0.873 -16.048
  360   3HB   ALA  50          2HB       ALA  50   7.839  -0.084 -15.028
  361    H    ARG  51           H        ARG  51   3.859   0.771 -14.144
  362    HA   ARG  51           HA       ARG  51   3.371   3.241 -15.593
  363   1HB   ARG  51          2HB       ARG  51   1.594   0.988 -14.661
  364   2HB   ARG  51          1HB       ARG  51   0.943   2.461 -15.379
  365   1HG   ARG  51          2HG       ARG  51   2.747   1.970 -17.251
  366   2HG   ARG  51          1HG       ARG  51   2.616   0.320 -16.642
  367   1HD   ARG  51          2HD       ARG  51   0.906   0.244 -18.171
  368   2HD   ARG  51          1HD       ARG  51   0.003   0.890 -16.805
  369    HE   ARG  51           HE       ARG  51   0.947   3.124 -18.070
  370   1HH1  ARG  51          1HH2      ARG  51   0.975   1.976 -20.699
  371   2HH1  ARG  51          2HH2      ARG  51  -0.669   2.048 -21.240
  372   1HH2  ARG  51          2HH1      ARG  51  -1.972   2.503 -18.059
  373   2HH2  ARG  51          1HH1      ARG  51  -2.338   2.346 -19.744
  374    H    LEU  52           H        LEU  52   3.019   1.986 -12.347
  375    HA   LEU  52           HA       LEU  52   1.271   3.994 -11.351
  376   1HB   LEU  52          2HB       LEU  52   2.813   1.767 -10.271
  377   2HB   LEU  52          1HB       LEU  52   2.832   3.155  -9.187
  378    HG   LEU  52           HG       LEU  52   0.919   1.682  -8.696
  379   1HD1  LEU  52          1HD1      LEU  52   0.820   4.279  -8.612
  380   2HD1  LEU  52          3HD1      LEU  52  -0.219   4.131 -10.029
  381   3HD1  LEU  52          2HD1      LEU  52  -0.694   3.382  -8.505
  382   1HD2  LEU  52          1HD2      LEU  52   0.750   0.929 -11.158
  383   2HD2  LEU  52          3HD2      LEU  52  -0.766   1.170 -10.289
  384   3HD2  LEU  52          2HD2      LEU  52  -0.188   2.400 -11.414
  385    H    GLU  53           H        GLU  53   4.708   3.900 -11.945
  386    HA   GLU  53           HA       GLU  53   5.203   6.287 -10.338
  387   1HB   GLU  53          2HB       GLU  53   7.544   6.010 -11.099
  388   2HB   GLU  53          1HB       GLU  53   6.906   4.560 -10.322
  389   1HG   GLU  53          2HG       GLU  53   6.914   3.347 -12.266
  390   2HG   GLU  53          1HG       GLU  53   6.513   4.747 -13.261
  391    H    SER  54           H        SER  54   3.613   6.095 -13.050
  392    HA   SER  54           HA       SER  54   5.147   8.095 -14.560
  393   1HB   SER  54          2HB       SER  54   2.931   6.206 -15.255
  394   2HB   SER  54          1HB       SER  54   3.126   7.681 -16.197
  395    HG   SER  54           HG       SER  54   4.365   5.584 -16.714
  396    H    ARG  55           H        ARG  55   1.792   7.525 -13.482
  397    HA   ARG  55           HA       ARG  55   0.989  10.235 -13.934
  398   1HB   ARG  55          2HB       ARG  55  -0.574   8.263 -13.891
  399   2HB   ARG  55          1HB       ARG  55  -0.356   8.204 -12.142
  400   1HG   ARG  55          2HG       ARG  55  -2.298   9.519 -12.415
  401   2HG   ARG  55          1HG       ARG  55  -1.018  10.708 -12.177
  402   1HD   ARG  55          2HD       ARG  55  -1.147  10.094 -14.972
  403   2HD   ARG  55          1HD       ARG  55  -2.779  10.434 -14.409
  404    HE   ARG  55           HE       ARG  55  -0.489  12.296 -14.232
  405   1HH1  ARG  55          2HH1      ARG  55  -2.030  13.390 -12.220
  406   2HH1  ARG  55          1HH1      ARG  55  -3.330  14.250 -12.974
  407   1HH2  ARG  55          1HH2      ARG  55  -2.979  12.637 -16.024
  408   2HH2  ARG  55          2HH2      ARG  55  -3.867  13.824 -15.127
  409    H    TYR  56           H        TYR  56   1.344   8.382 -10.900
  410    HA   TYR  56           HA       TYR  56   1.289  10.739  -9.274
  411   1HB   TYR  56          2HB       TYR  56   2.265   7.973  -8.526
  412   2HB   TYR  56          1HB       TYR  56   1.787   9.258  -7.418
  413    HD1  TYR  56           HD2      TYR  56  -0.653  10.343  -8.580
  414    HD2  TYR  56           HD1      TYR  56   0.674   6.259  -8.369
  415    HE1  TYR  56           HE2      TYR  56  -3.006   9.570  -8.709
  416    HE2  TYR  56           HE1      TYR  56  -1.679   5.492  -8.499
  417    HH   TYR  56           HH       TYR  56  -4.050   7.005  -9.611
  418    H    GLY  57           H        GLY  57   3.798   8.907 -10.865
  419   1HA   GLY  57          2HA       GLY  57   6.056   9.303 -11.100
  420   2HA   GLY  57          1HA       GLY  57   5.741  10.935 -10.519
  421    H    VAL  58           H        VAL  58   5.368   7.751  -8.984
  422    HA   VAL  58           HA       VAL  58   6.251   8.615  -6.463
  423    HB   VAL  58           HB       VAL  58   4.943   6.682  -6.407
  424   1HG1  VAL  58          3HG1      VAL  58   6.440   5.927  -8.817
  425   2HG1  VAL  58          2HG1      VAL  58   6.109   4.573  -7.736
  426   3HG1  VAL  58          1HG1      VAL  58   4.780   5.555  -8.351
  427   1HG2  VAL  58          2HG2      VAL  58   7.415   6.580  -5.247
  428   2HG2  VAL  58          1HG2      VAL  58   6.140   5.391  -4.981
  429   3HG2  VAL  58          3HG2      VAL  58   7.407   5.078  -6.168
  430    H    SER  59           H        SER  59   8.147   5.946  -7.810
  431    HA   SER  59           HA       SER  59  10.514   7.542  -8.182
  432   1HB   SER  59          2HB       SER  59  10.054   6.958  -5.583
  433   2HB   SER  59          1HB       SER  59  10.902   5.493  -6.068
  434    HG   SER  59           HG       SER  59  12.343   7.130  -5.386
  435    H    ILE  60           H        ILE  60  12.405   5.489  -7.814
  436    HA   ILE  60           HA       ILE  60  11.464   3.452  -9.743
  437    HB   ILE  60           HB       ILE  60  13.029   5.024 -10.804
  438   1HG1  ILE  60          2HG1      ILE  60  14.543   2.456 -10.334
  439   2HG1  ILE  60          1HG1      ILE  60  13.019   2.462 -11.223
  440   1HG2  ILE  60          2HG2      ILE  60  14.270   5.126  -8.351
  441   2HG2  ILE  60          1HG2      ILE  60  15.380   4.121  -9.278
  442   3HG2  ILE  60          3HG2      ILE  60  14.960   5.733  -9.853
  443   1HD1  ILE  60          1HD1      ILE  60  15.427   4.174 -11.912
  444   2HD1  ILE  60          3HD1      ILE  60  14.992   2.672 -12.730
  445   3HD1  ILE  60          2HD1      ILE  60  13.922   4.071 -12.828
  446    HA   PRO  61           HA       PRO  61  13.050   1.286  -5.967
  447   1HB   PRO  61          2HB       PRO  61  10.837  -0.245  -5.517
  448   2HB   PRO  61          1HB       PRO  61  11.046   1.389  -4.868
  449   1HG   PRO  61          2HG       PRO  61   9.310   0.453  -7.077
  450   2HG   PRO  61          1HG       PRO  61   9.120   1.849  -6.004
  451   1HD   PRO  61          2HD       PRO  61  10.067   1.898  -8.679
  452   2HD   PRO  61          1HD       PRO  61  10.121   3.234  -7.508
  453    H    ASP  62           H        ASP  62  14.463  -0.253  -6.606
  454    HA   ASP  62           HA       ASP  62  13.596  -2.264  -8.575
  455   1HB   ASP  62          2HB       ASP  62  16.373  -1.540  -7.610
  456   2HB   ASP  62          1HB       ASP  62  16.003  -2.756  -8.834
  457    H    ASP  63           H        ASP  63  15.287  -1.999  -5.456
  458    HA   ASP  63           HA       ASP  63  15.188  -4.874  -5.051
  459   1HB   ASP  63          2HB       ASP  63  16.270  -4.336  -2.870
  460   2HB   ASP  63          1HB       ASP  63  17.151  -3.704  -4.261
  461    H    VAL  64           H        VAL  64  13.684  -1.991  -3.607
  462    HA   VAL  64           HA       VAL  64  12.234  -3.448  -1.632
  463    HB   VAL  64           HB       VAL  64  12.732  -1.036  -1.428
  464   1HG1  VAL  64          1HG1      VAL  64  12.262  -0.569  -3.890
  465   2HG1  VAL  64          3HG1      VAL  64  10.549  -0.587  -3.469
  466   3HG1  VAL  64          2HG1      VAL  64  11.622   0.611  -2.747
  467   1HG2  VAL  64          3HG2      VAL  64   9.825  -1.882  -1.408
  468   2HG2  VAL  64          2HG2      VAL  64  10.951  -1.865  -0.050
  469   3HG2  VAL  64          1HG2      VAL  64  10.381  -0.346  -0.741
  470    H    ALA  65           H        ALA  65  11.358  -2.182  -4.832
  471    HA   ALA  65           HA       ALA  65   8.675  -3.282  -4.658
  472   1HB   ALA  65          3HB       ALA  65   9.127  -1.178  -5.897
  473   2HB   ALA  65          2HB       ALA  65  10.103  -2.095  -7.044
  474   3HB   ALA  65          1HB       ALA  65   8.376  -2.410  -6.910
  475    H    GLY  66           H        GLY  66  11.636  -3.939  -6.511
  476   1HA   GLY  66          2HA       GLY  66  10.654  -6.089  -8.037
  477   2HA   GLY  66          1HA       GLY  66  12.347  -5.818  -7.639
  478    H    ARG  67           H        ARG  67  11.735  -5.906  -4.720
  479    HA   ARG  67           HA       ARG  67  11.595  -8.844  -4.484
  480   1HB   ARG  67          2HB       ARG  67  13.597  -7.319  -3.630
  481   2HB   ARG  67          1HB       ARG  67  12.535  -7.116  -2.238
  482   1HG   ARG  67          2HG       ARG  67  13.324  -9.090  -1.477
  483   2HG   ARG  67          1HG       ARG  67  12.418  -9.860  -2.778
  484   1HD   ARG  67          2HD       ARG  67  14.706 -10.603  -2.943
  485   2HD   ARG  67          1HD       ARG  67  14.406  -9.497  -4.278
  486    HE   ARG  67           HE       ARG  67  15.436  -8.020  -2.107
  487   1HH1  ARG  67          2HH1      ARG  67  16.521  -7.978  -4.937
  488   2HH1  ARG  67          1HH1      ARG  67  18.116  -8.617  -4.718
  489   1HH2  ARG  67          1HH2      ARG  67  17.448  -9.924  -1.576
  490   2HH2  ARG  67          2HH2      ARG  67  18.641  -9.718  -2.815
  491    H    VAL  68           H        VAL  68   9.211  -7.248  -4.725
  492    HA   VAL  68           HA       VAL  68   8.113  -7.000  -2.051
  493    HB   VAL  68           HB       VAL  68   7.446  -5.412  -3.835
  494   1HG1  VAL  68          1HG1      VAL  68   7.439  -7.299  -5.625
  495   2HG1  VAL  68          3HG1      VAL  68   5.804  -7.619  -5.056
  496   3HG1  VAL  68          2HG1      VAL  68   6.205  -6.045  -5.733
  497   1HG2  VAL  68          2HG2      VAL  68   5.296  -7.187  -2.659
  498   2HG2  VAL  68          1HG2      VAL  68   5.918  -5.675  -1.999
  499   3HG2  VAL  68          3HG2      VAL  68   4.948  -5.662  -3.473
  500    H    ASP  69           H        ASP  69   7.706  -8.814  -0.989
  501    HA   ASP  69           HA       ASP  69   6.722 -11.174  -2.420
  502   1HB   ASP  69          2HB       ASP  69   7.900 -10.684   0.287
  503   2HB   ASP  69          1HB       ASP  69   6.886 -12.107   0.038
  504    H    THR  70           H        THR  70   5.582  -8.633  -0.345
  505    HA   THR  70           HA       THR  70   3.003 -10.048  -0.040
  506    HB   THR  70           HB       THR  70   2.585  -8.436   1.833
  507    HG1  THR  70           HG1      THR  70   4.149  -7.084   2.441
  508   1HG2  THR  70          3HG2      THR  70   4.950 -10.310   1.906
  509   2HG2  THR  70          2HG2      THR  70   4.374  -9.483   3.355
  510   3HG2  THR  70          1HG2      THR  70   3.311 -10.594   2.492
  511    HA   PRO  71           HA       PRO  71   1.266  -6.909  -2.640
  512   1HB   PRO  71          2HB       PRO  71  -1.352  -7.060  -1.887
  513   2HB   PRO  71          1HB       PRO  71  -0.550  -8.284  -2.882
  514   1HG   PRO  71          2HG       PRO  71  -1.295  -8.384  -0.008
  515   2HG   PRO  71          1HG       PRO  71  -1.197  -9.697  -1.192
  516   1HD   PRO  71          2HD       PRO  71   0.729  -9.119   0.767
  517   2HD   PRO  71          1HD       PRO  71   0.993 -10.132  -0.673
  518    H    ARG  72           H        ARG  72   0.114  -6.835   0.729
  519    HA   ARG  72           HA       ARG  72  -0.825  -4.211   0.851
  520   1HB   ARG  72          2HB       ARG  72  -0.799  -6.147   2.643
  521   2HB   ARG  72          1HB       ARG  72   0.673  -5.340   3.183
  522   1HG   ARG  72          2HG       ARG  72  -0.808  -4.090   4.403
  523   2HG   ARG  72          1HG       ARG  72  -0.940  -3.188   2.892
  524   1HD   ARG  72          2HD       ARG  72  -2.950  -4.268   2.285
  525   2HD   ARG  72          1HD       ARG  72  -2.691  -5.580   3.430
  526    HE   ARG  72           HE       ARG  72  -2.895  -3.320   4.993
  527   1HH1  ARG  72          1HH2      ARG  72  -4.752  -2.324   2.823
  528   2HH1  ARG  72          2HH2      ARG  72  -6.288  -2.914   3.363
  529   1HH2  ARG  72          2HH1      ARG  72  -4.928  -5.192   5.595
  530   2HH2  ARG  72          1HH1      ARG  72  -6.388  -4.536   4.933
  531    H    GLU  73           H        GLU  73   2.446  -5.412   0.790
  532    HA   GLU  73           HA       GLU  73   3.744  -3.102   1.831
  533   1HB   GLU  73          2HB       GLU  73   4.805  -5.363   1.625
  534   2HB   GLU  73          1HB       GLU  73   4.858  -5.130  -0.122
  535   1HG   GLU  73          2HG       GLU  73   6.285  -3.186   0.120
  536   2HG   GLU  73          1HG       GLU  73   6.120  -3.232   1.875
  537    H    LEU  74           H        LEU  74   2.942  -4.190  -1.449
  538    HA   LEU  74           HA       LEU  74   4.213  -2.128  -2.876
  539   1HB   LEU  74          2HB       LEU  74   2.999  -4.326  -3.690
  540   2HB   LEU  74          1HB       LEU  74   1.613  -3.246  -3.851
  541    HG   LEU  74           HG       LEU  74   3.354  -1.681  -5.066
  542   1HD1  LEU  74          1HD1      LEU  74   4.556  -4.445  -5.415
  543   2HD1  LEU  74          3HD1      LEU  74   5.033  -3.007  -6.318
  544   3HD1  LEU  74          2HD1      LEU  74   5.311  -3.088  -4.579
  545   1HD2  LEU  74          2HD2      LEU  74   1.306  -2.937  -5.993
  546   2HD2  LEU  74          1HD2      LEU  74   2.571  -2.523  -7.149
  547   3HD2  LEU  74          3HD2      LEU  74   2.449  -4.169  -6.527
  548    H    LEU  75           H        LEU  75   0.942  -2.339  -1.514
  549    HA   LEU  75           HA       LEU  75  -0.067   0.082  -2.546
  550   1HB   LEU  75          2HB       LEU  75  -1.512  -1.607  -1.488
  551   2HB   LEU  75          1HB       LEU  75  -0.735  -1.315   0.065
  552    HG   LEU  75           HG       LEU  75  -1.482   1.188  -0.370
  553   1HD1  LEU  75          2HD1      LEU  75  -2.334   0.404  -2.708
  554   2HD1  LEU  75          1HD1      LEU  75  -3.714  -0.225  -1.807
  555   3HD1  LEU  75          3HD1      LEU  75  -3.341   1.499  -1.760
  556   1HD2  LEU  75          3HD2      LEU  75  -2.258  -0.497   1.397
  557   2HD2  LEU  75          2HD2      LEU  75  -3.402   0.779   0.975
  558   3HD2  LEU  75          1HD2      LEU  75  -3.609  -0.844   0.316
  559    H    ASP  76           H        ASP  76   1.428  -0.584   0.631
  560    HA   ASP  76           HA       ASP  76   1.438   2.144   1.436
  561   1HB   ASP  76          2HB       ASP  76   1.670   0.117   2.953
  562   2HB   ASP  76          1HB       ASP  76   3.348   0.023   2.419
  563    H    LEU  77           H        LEU  77   3.364   0.458  -0.827
  564    HA   LEU  77           HA       LEU  77   5.803   1.916  -0.481
  565   1HB   LEU  77          2HB       LEU  77   5.257  -0.358  -1.759
  566   2HB   LEU  77          1HB       LEU  77   5.069   0.739  -3.123
  567    HG   LEU  77           HG       LEU  77   7.368  -0.083  -3.010
  568   1HD1  LEU  77          3HD1      LEU  77   6.786   2.348  -3.638
  569   2HD1  LEU  77          2HD1      LEU  77   7.442   2.778  -2.058
  570   3HD1  LEU  77          1HD1      LEU  77   8.471   1.992  -3.256
  571   1HD2  LEU  77          2HD2      LEU  77   6.982   0.336  -0.182
  572   2HD2  LEU  77          1HD2      LEU  77   8.309  -0.484  -1.003
  573   3HD2  LEU  77          3HD2      LEU  77   8.390   1.254  -0.715
  574    H    ILE  78           H        ILE  78   3.510   1.949  -3.220
  575    HA   ILE  78           HA       ILE  78   4.488   4.445  -4.214
  576    HB   ILE  78           HB       ILE  78   1.841   3.107  -4.832
  577   1HG1  ILE  78          2HG1      ILE  78   4.264   2.843  -6.567
  578   2HG1  ILE  78          1HG1      ILE  78   4.175   1.838  -5.120
  579   1HG2  ILE  78          3HG2      ILE  78   3.563   5.064  -6.387
  580   2HG2  ILE  78          2HG2      ILE  78   2.069   4.329  -6.971
  581   3HG2  ILE  78          1HG2      ILE  78   2.029   5.441  -5.604
  582   1HD1  ILE  78          3HD1      ILE  78   1.786   2.007  -6.924
  583   2HD1  ILE  78          2HD1      ILE  78   3.139   0.975  -7.388
  584   3HD1  ILE  78          1HD1      ILE  78   2.293   0.690  -5.867
  585    H    ASN  79           H        ASN  79   1.640   3.502  -2.367
  586    HA   ASN  79           HA       ASN  79   0.296   5.951  -2.282
  587   1HB   ASN  79          2HB       ASN  79  -0.519   3.670  -1.479
  588   2HB   ASN  79          1HB       ASN  79   0.380   3.982   0.003
  589   1HD2  ASN  79          2HD2      ASN  79  -2.967   5.238   0.758
  590   2HD2  ASN  79          1HD2      ASN  79  -2.169   3.749   0.598
  591    H    GLY  80           H        GLY  80   2.928   4.703  -0.286
  592   1HA   GLY  80          2HA       GLY  80   2.859   6.915   1.568
  593   2HA   GLY  80          1HA       GLY  80   4.094   5.663   1.480
  594    H    ALA  81           H        ALA  81   4.535   6.139  -1.405
  595    HA   ALA  81           HA       ALA  81   6.665   7.974  -1.224
  596   1HB   ALA  81          2HB       ALA  81   6.054   6.097  -3.015
  597   2HB   ALA  81          1HB       ALA  81   5.397   7.488  -3.876
  598   3HB   ALA  81          3HB       ALA  81   7.101   7.458  -3.419
  599    H    LEU  82           H        LEU  82   3.484   8.319  -2.803
  600    HA   LEU  82           HA       LEU  82   3.851  11.041  -3.524
  601   1HB   LEU  82          2HB       LEU  82   2.122   9.376  -4.446
  602   2HB   LEU  82          1HB       LEU  82   1.164   9.774  -3.019
  603    HG   LEU  82           HG       LEU  82   1.542  12.241  -3.689
  604   1HD1  LEU  82          3HD1      LEU  82   3.258  11.226  -5.504
  605   2HD1  LEU  82          2HD1      LEU  82   1.794  11.255  -6.487
  606   3HD1  LEU  82          1HD1      LEU  82   2.398  12.744  -5.760
  607   1HD2  LEU  82          3HD2      LEU  82  -0.143  10.350  -5.358
  608   2HD2  LEU  82          2HD2      LEU  82  -0.638  11.191  -3.889
  609   3HD2  LEU  82          1HD2      LEU  82  -0.332  12.103  -5.367
  610    H    ALA  83           H        ALA  83   2.694   9.454  -0.627
  611    HA   ALA  83           HA       ALA  83   1.345  11.580   0.606
  612   1HB   ALA  83          2HB       ALA  83   2.884   9.239   1.712
  613   2HB   ALA  83          1HB       ALA  83   2.113  10.422   2.768
  614   3HB   ALA  83          3HB       ALA  83   1.138   9.473   1.647
  615    H    GLU  84           H        GLU  84   4.762  10.936   0.236
  616    HA   GLU  84           HA       GLU  84   5.477  13.102   2.076
  617   1HB   GLU  84          2HB       GLU  84   6.957  10.885   0.734
  618   2HB   GLU  84          1HB       GLU  84   7.853  12.346   1.156
  619   1HG   GLU  84          2HG       GLU  84   6.495  11.995   3.459
  620   2HG   GLU  84          1HG       GLU  84   6.595  10.315   2.931
  621    H    ALA  85           H        ALA  85   5.295  12.383  -1.340
  622    HA   ALA  85           HA       ALA  85   6.452  15.038  -1.943
  623   1HB   ALA  85          3HB       ALA  85   7.643  13.095  -2.955
  624   2HB   ALA  85          2HB       ALA  85   6.159  12.669  -3.806
  625   3HB   ALA  85          1HB       ALA  85   6.972  14.194  -4.161
  626    H    ALA  86           HN       ALA  86   3.784  14.780  -1.054
  627    HA   ALA  86           HA       ALA  86   1.890  14.618  -3.147
  628   1HB   ALA  86          2HB       ALA  86   1.852  15.971  -0.452
  629   2HB   ALA  86          1HB       ALA  86   0.479  16.055  -1.557
  630   3HB   ALA  86          3HB       ALA  86   1.025  14.494  -0.946
   
  No H/Q in entry =         630
  Start of MODEL   19
    1   1H    MET   1          3H        MET   1  -6.306  16.040   3.018
    2   2H    MET   1          2H        MET   1  -6.969  17.595   3.179
    3   3H    MET   1          1H        MET   1  -7.463  16.586   1.909
    4    HA   MET   1           HA       MET   1  -6.020  17.817   0.728
    5   1HB   MET   1          2HB       MET   1  -3.945  18.819   1.806
    6   2HB   MET   1          1HB       MET   1  -5.484  19.429   2.407
    7   1HG   MET   1          2HG       MET   1  -5.281  17.614   4.233
    8   2HG   MET   1          1HG       MET   1  -3.594  17.486   3.735
    9   1HE   MET   1          3HE       MET   1  -1.978  19.070   3.683
   10   2HE   MET   1          2HE       MET   1  -2.659  20.572   3.063
   11   3HE   MET   1          1HE       MET   1  -1.859  20.557   4.632
   12    H    ALA   2           H        ALA   2  -4.393  15.751   3.167
   13    HA   ALA   2           HA       ALA   2  -2.571  14.754   1.111
   14   1HB   ALA   2          2HB       ALA   2  -1.758  15.286   3.427
   15   2HB   ALA   2          1HB       ALA   2  -2.747  13.954   4.024
   16   3HB   ALA   2          3HB       ALA   2  -1.417  13.635   2.910
   17    H    THR   3           H        THR   3  -3.787  13.480  -0.235
   18    HA   THR   3           HA       THR   3  -4.479  10.857   0.784
   19    HB   THR   3           HB       THR   3  -6.650  12.495  -0.541
   20    HG1  THR   3           HG1      THR   3  -6.406  11.720   2.173
   21   1HG2  THR   3          1HG2      THR   3  -6.368   9.806  -0.487
   22   2HG2  THR   3          3HG2      THR   3  -7.189  10.053   1.055
   23   3HG2  THR   3          2HG2      THR   3  -7.937  10.609  -0.442
   24    H    LEU   4           H        LEU   4  -3.400   9.670  -0.652
   25    HA   LEU   4           HA       LEU   4  -3.326  10.497  -3.465
   26   1HB   LEU   4          2HB       LEU   4  -1.822   8.339  -1.968
   27   2HB   LEU   4          1HB       LEU   4  -1.639   8.669  -3.690
   28    HG   LEU   4           HG       LEU   4  -1.410  11.033  -1.914
   29   1HD1  LEU   4          1HD1      LEU   4   0.561   8.741  -1.861
   30   2HD1  LEU   4          3HD1      LEU   4   1.034  10.395  -1.474
   31   3HD1  LEU   4          2HD1      LEU   4  -0.179   9.572  -0.493
   32   1HD2  LEU   4          3HD2      LEU   4   0.072   9.907  -4.305
   33   2HD2  LEU   4          2HD2      LEU   4  -0.998  11.309  -4.262
   34   3HD2  LEU   4          1HD2      LEU   4   0.577  11.378  -3.473
   35    H    LEU   5           H        LEU   5  -3.471   7.247  -2.008
   36    HA   LEU   5           HA       LEU   5  -5.993   6.697  -3.352
   37   1HB   LEU   5          2HB       LEU   5  -5.225   4.845  -4.673
   38   2HB   LEU   5          1HB       LEU   5  -4.223   6.232  -5.081
   39    HG   LEU   5           HG       LEU   5  -3.430   4.080  -3.092
   40   1HD1  LEU   5          1HD1      LEU   5  -3.276   4.196  -6.024
   41   2HD1  LEU   5          3HD1      LEU   5  -1.711   3.919  -5.260
   42   3HD1  LEU   5          2HD1      LEU   5  -3.053   2.823  -4.940
   43   1HD2  LEU   5          1HD2      LEU   5  -2.180   6.589  -4.136
   44   2HD2  LEU   5          3HD2      LEU   5  -2.120   5.897  -2.514
   45   3HD2  LEU   5          2HD2      LEU   5  -1.129   5.213  -3.801
   46    H    THR   6           H        THR   6  -6.512   4.230  -2.983
   47    HA   THR   6           HA       THR   6  -5.626   3.493  -0.260
   48    HB   THR   6           HB       THR   6  -7.890   2.918   0.361
   49    HG1  THR   6           HG1      THR   6  -8.473   3.673  -2.306
   50   1HG2  THR   6          3HG2      THR   6  -7.168   5.296   0.600
   51   2HG2  THR   6          2HG2      THR   6  -7.885   5.639  -0.974
   52   3HG2  THR   6          1HG2      THR   6  -8.909   5.132   0.370
   53    H    THR   7           H        THR   7  -6.863   1.217   0.173
   54    HA   THR   7           HA       THR   7  -5.484  -0.730  -1.276
   55    HB   THR   7           HB       THR   7  -8.085  -1.029   0.255
   56    HG1  THR   7           HG1      THR   7  -5.403  -1.440   1.068
   57   1HG2  THR   7          1HG2      THR   7  -6.706  -2.899  -1.343
   58   2HG2  THR   7          3HG2      THR   7  -6.290  -3.292   0.325
   59   3HG2  THR   7          2HG2      THR   7  -7.981  -3.231  -0.170
   60    H    ASP   8           H        ASP   8  -8.625   0.728  -1.793
   61    HA   ASP   8           HA       ASP   8  -9.762  -1.001  -3.665
   62   1HB   ASP   8          2HB       ASP   8 -10.575   1.322  -2.606
   63   2HB   ASP   8          1HB       ASP   8 -10.018   1.923  -4.169
   64    H    ASP   9           H        ASP   9  -7.536   1.729  -4.173
   65    HA   ASP   9           HA       ASP   9  -7.339   1.496  -6.991
   66   1HB   ASP   9          2HB       ASP   9  -6.405   3.337  -5.272
   67   2HB   ASP   9          1HB       ASP   9  -4.941   2.370  -5.451
   68    H    LEU  10           H        LEU  10  -5.717  -0.058  -4.299
   69    HA   LEU  10           HA       LEU  10  -3.543  -1.284  -5.528
   70   1HB   LEU  10          2HB       LEU  10  -4.480  -1.330  -3.043
   71   2HB   LEU  10          1HB       LEU  10  -5.183  -2.853  -3.580
   72    HG   LEU  10           HG       LEU  10  -2.243  -2.129  -3.770
   73   1HD1  LEU  10          1HD1      LEU  10  -3.087  -2.493  -1.447
   74   2HD1  LEU  10          3HD1      LEU  10  -3.684  -4.074  -1.944
   75   3HD1  LEU  10          2HD1      LEU  10  -1.952  -3.743  -1.957
   76   1HD2  LEU  10          1HD2      LEU  10  -3.859  -4.583  -4.495
   77   2HD2  LEU  10          3HD2      LEU  10  -2.743  -3.675  -5.517
   78   3HD2  LEU  10          2HD2      LEU  10  -2.123  -4.666  -4.195
   79    H    ARG  11           H        ARG  11  -6.837  -2.580  -5.131
   80    HA   ARG  11           HA       ARG  11  -6.448  -4.984  -6.539
   81   1HB   ARG  11          2HB       ARG  11  -8.480  -4.014  -5.078
   82   2HB   ARG  11          1HB       ARG  11  -9.115  -3.673  -6.683
   83   1HG   ARG  11          2HG       ARG  11  -9.806  -5.827  -6.720
   84   2HG   ARG  11          1HG       ARG  11  -8.110  -6.255  -6.943
   85   1HD   ARG  11          2HD       ARG  11  -7.810  -6.787  -4.695
   86   2HD   ARG  11          1HD       ARG  11  -9.143  -5.765  -4.171
   87    HE   ARG  11           HE       ARG  11 -10.564  -7.573  -4.475
   88   1HH1  ARG  11          1HH2      ARG  11 -10.788  -8.575  -6.962
   89   2HH1  ARG  11          2HH2      ARG  11  -9.765  -9.966  -7.101
   90   1HH2  ARG  11          2HH1      ARG  11  -7.854  -9.166  -4.319
   91   2HH2  ARG  11          1HH1      ARG  11  -8.104 -10.300  -5.604
   92    H    ARG  12           H        ARG  12  -7.869  -1.905  -7.605
   93    HA   ARG  12           HA       ARG  12  -8.464  -2.544 -10.236
   94   1HB   ARG  12          2HB       ARG  12  -8.816  -0.335  -8.873
   95   2HB   ARG  12          1HB       ARG  12  -7.285   0.136  -9.609
   96   1HG   ARG  12          2HG       ARG  12  -8.715  -0.943 -11.742
   97   2HG   ARG  12          1HG       ARG  12  -9.945  -0.076 -10.822
   98   1HD   ARG  12          2HD       ARG  12  -8.366   1.908 -10.788
   99   2HD   ARG  12          1HD       ARG  12  -7.359   1.033 -11.935
  100    HE   ARG  12           HE       ARG  12 -10.074   2.062 -12.464
  101   1HH1  ARG  12          2HH1      ARG  12 -10.137   0.010 -14.308
  102   2HH1  ARG  12          1HH1      ARG  12  -9.134   0.481 -15.640
  103   1HH2  ARG  12          1HH2      ARG  12  -7.461   2.937 -13.854
  104   2HH2  ARG  12          2HH2      ARG  12  -7.619   2.138 -15.382
  105    H    ALA  13           H        ALA  13  -5.342  -1.935  -8.804
  106    HA   ALA  13           HA       ALA  13  -3.975  -1.496 -11.303
  107   1HB   ALA  13          3HB       ALA  13  -2.953  -2.109  -8.523
  108   2HB   ALA  13          2HB       ALA  13  -1.912  -1.762  -9.905
  109   3HB   ALA  13          1HB       ALA  13  -3.023  -0.531  -9.306
  110    H    LEU  14           H        LEU  14  -4.248  -4.204  -9.018
  111    HA   LEU  14           HA       LEU  14  -2.598  -5.962 -10.566
  112   1HB   LEU  14          2HB       LEU  14  -4.321  -6.213  -8.150
  113   2HB   LEU  14          1HB       LEU  14  -3.908  -7.688  -9.025
  114    HG   LEU  14           HG       LEU  14  -1.750  -5.700  -8.386
  115   1HD1  LEU  14          1HD1      LEU  14  -3.216  -7.464  -6.477
  116   2HD1  LEU  14          3HD1      LEU  14  -1.461  -7.385  -6.327
  117   3HD1  LEU  14          2HD1      LEU  14  -2.424  -5.914  -6.192
  118   1HD2  LEU  14          3HD2      LEU  14  -1.707  -7.972  -9.812
  119   2HD2  LEU  14          2HD2      LEU  14  -0.336  -7.468  -8.823
  120   3HD2  LEU  14          1HD2      LEU  14  -1.473  -8.667  -8.208
  121    H    VAL  15           H        VAL  15  -5.841  -4.956 -10.924
  122    HA   VAL  15           HA       VAL  15  -6.742  -7.411 -12.204
  123    HB   VAL  15           HB       VAL  15  -8.130  -4.724 -12.000
  124   1HG1  VAL  15          3HG1      VAL  15  -8.839  -6.523 -13.754
  125   2HG1  VAL  15          2HG1      VAL  15  -9.431  -7.419 -12.356
  126   3HG1  VAL  15          1HG1      VAL  15 -10.082  -5.821 -12.719
  127   1HG2  VAL  15          1HG2      VAL  15  -7.451  -6.334  -9.888
  128   2HG2  VAL  15          3HG2      VAL  15  -8.872  -5.291  -9.920
  129   3HG2  VAL  15          2HG2      VAL  15  -9.021  -7.000 -10.330
  130    H    GLU  16           H        GLU  16  -5.503  -4.257 -13.068
  131    HA   GLU  16           HA       GLU  16  -6.317  -4.090 -15.739
  132   1HB   GLU  16          2HB       GLU  16  -5.054  -2.357 -14.302
  133   2HB   GLU  16          1HB       GLU  16  -3.593  -3.195 -14.828
  134   1HG   GLU  16          2HG       GLU  16  -4.337  -2.889 -17.202
  135   2HG   GLU  16          1HG       GLU  16  -5.684  -1.915 -16.610
  136    H    CYS  17           H        CYS  17  -4.000  -6.194 -14.248
  137    HA   CYS  17           HA       CYS  17  -2.262  -6.748 -16.361
  138   1HB   CYS  17          2HB       CYS  17  -3.312  -8.562 -14.182
  139   2HB   CYS  17          1HB       CYS  17  -2.001  -8.998 -15.278
  140    HG   CYS  17           HG       CYS  17  -1.625  -6.360 -13.702
  141    H    ALA  18           H        ALA  18  -4.882  -8.969 -15.392
  142    HA   ALA  18           HA       ALA  18  -5.444  -9.421 -18.263
  143   1HB   ALA  18          3HB       ALA  18  -4.959 -11.445 -16.091
  144   2HB   ALA  18          2HB       ALA  18  -5.933 -11.846 -17.506
  145   3HB   ALA  18          1HB       ALA  18  -4.249 -11.362 -17.703
  146    H    GLY  19           H        GLY  19  -6.866  -7.658 -16.627
  147   1HA   GLY  19          2HA       GLY  19  -9.016  -7.116 -15.992
  148   2HA   GLY  19          1HA       GLY  19  -9.519  -8.394 -17.094
  149    H    GLU  20           H        GLU  20 -10.660  -9.970 -16.210
  150    HA   GLU  20           HA       GLU  20 -11.564 -11.420 -14.673
  151   1HB   GLU  20          2HB       GLU  20  -8.777 -11.082 -13.587
  152   2HB   GLU  20          1HB       GLU  20  -9.970 -12.075 -12.748
  153   1HG   GLU  20          2HG       GLU  20 -10.321 -13.379 -14.832
  154   2HG   GLU  20          1HG       GLU  20  -9.069 -12.420 -15.623
  155    H    THR  21           H        THR  21 -12.323 -11.600 -12.409
  156    HA   THR  21           HA       THR  21 -12.043  -9.573 -10.490
  157    HB   THR  21           HB       THR  21 -13.101  -8.024 -11.981
  158    HG1  THR  21           HG1      THR  21 -13.908  -7.895  -9.914
  159   1HG2  THR  21          1HG2      THR  21 -14.050  -9.791 -13.498
  160   2HG2  THR  21          3HG2      THR  21 -15.338 -10.038 -12.319
  161   3HG2  THR  21          2HG2      THR  21 -15.179  -8.485 -13.136
  162    H    ASP  22           H        ASP  22 -12.534 -10.643  -8.714
  163    HA   ASP  22           HA       ASP  22 -14.603 -12.738  -8.828
  164   1HB   ASP  22          2HB       ASP  22 -12.118 -13.007  -7.903
  165   2HB   ASP  22          1HB       ASP  22 -12.866 -12.388  -6.431
  166    H    GLY  23           H        GLY  23 -15.158  -9.825  -8.621
  167   1HA   GLY  23          2HA       GLY  23 -17.180  -9.029  -7.544
  168   2HA   GLY  23          1HA       GLY  23 -16.712  -9.933  -6.106
  169    H    THR  24           H        THR  24 -14.115  -9.233  -5.758
  170    HA   THR  24           HA       THR  24 -12.610  -7.560  -5.200
  171    HB   THR  24           HB       THR  24 -14.691  -5.463  -5.817
  172    HG1  THR  24           HG1      THR  24 -12.766  -6.692  -7.493
  173   1HG2  THR  24          1HG2      THR  24 -12.568  -4.999  -4.446
  174   2HG2  THR  24          3HG2      THR  24 -11.683  -5.293  -5.943
  175   3HG2  THR  24          2HG2      THR  24 -12.851  -3.973  -5.853
  176    H    ASP  25           H        ASP  25 -15.980  -6.834  -4.272
  177    HA   ASP  25           HA       ASP  25 -15.087  -6.012  -1.617
  178   1HB   ASP  25          2HB       ASP  25 -17.773  -6.045  -2.997
  179   2HB   ASP  25          1HB       ASP  25 -17.607  -5.695  -1.275
  180    H    LEU  26           H        LEU  26 -14.213  -8.205  -1.219
  181    HA   LEU  26           HA       LEU  26 -16.120 -10.357  -0.821
  182   1HB   LEU  26          2HB       LEU  26 -13.166 -10.161  -0.180
  183   2HB   LEU  26          1HB       LEU  26 -14.142 -11.617   0.007
  184    HG   LEU  26           HG       LEU  26 -14.781 -11.117  -2.515
  185   1HD1  LEU  26          3HD1      LEU  26 -12.660  -9.209  -1.964
  186   2HD1  LEU  26          2HD1      LEU  26 -12.161 -10.335  -3.226
  187   3HD1  LEU  26          1HD1      LEU  26 -13.640  -9.396  -3.419
  188   1HD2  LEU  26          1HD2      LEU  26 -12.281 -12.395  -1.407
  189   2HD2  LEU  26          3HD2      LEU  26 -13.750 -13.177  -1.993
  190   3HD2  LEU  26          2HD2      LEU  26 -12.629 -12.438  -3.136
  191    H    SER  27           H        SER  27 -13.638  -9.127   1.423
  192    HA   SER  27           HA       SER  27 -15.653  -8.685   3.490
  193   1HB   SER  27          2HB       SER  27 -14.805 -11.159   3.498
  194   2HB   SER  27          1HB       SER  27 -13.340 -10.468   4.192
  195    HG   SER  27           HG       SER  27 -14.392 -10.389   5.999
  196    H    GLY  28           H        GLY  28 -13.797  -7.022   2.002
  197   1HA   GLY  28          2HA       GLY  28 -12.360  -5.264   2.384
  198   2HA   GLY  28          1HA       GLY  28 -12.792  -5.415   4.084
  199    H    ASP  29           H        ASP  29 -11.390  -8.093   2.339
  200    HA   ASP  29           HA       ASP  29  -8.672  -7.540   3.166
  201   1HB   ASP  29          2HB       ASP  29 -10.348  -9.607   4.582
  202   2HB   ASP  29          1HB       ASP  29  -8.595  -9.758   4.474
  203    H    PHE  30           H        PHE  30  -8.030  -7.889   1.076
  204    HA   PHE  30           HA       PHE  30  -8.261 -10.672   0.112
  205   1HB   PHE  30          2HB       PHE  30  -8.411  -9.724  -2.222
  206   2HB   PHE  30          1HB       PHE  30  -9.834  -9.475  -1.217
  207    HD1  PHE  30           HD1      PHE  30  -6.668  -7.787  -2.324
  208    HD2  PHE  30           HD2      PHE  30 -10.666  -7.316  -0.818
  209    HE1  PHE  30           HE1      PHE  30  -6.499  -5.340  -2.645
  210    HE2  PHE  30           HE2      PHE  30 -10.492  -4.865  -1.137
  211    HZ   PHE  30           HZ       PHE  30  -8.408  -3.878  -2.049
  212    H    LEU  31           H        LEU  31  -6.104  -9.014   1.448
  213    HA   LEU  31           HA       LEU  31  -4.071  -9.295  -0.668
  214   1HB   LEU  31          2HB       LEU  31  -4.076  -7.392   1.689
  215   2HB   LEU  31          1HB       LEU  31  -2.822  -7.513   0.454
  216    HG   LEU  31           HG       LEU  31  -5.643  -7.111  -0.441
  217   1HD1  LEU  31          1HD1      LEU  31  -4.012  -5.147   1.092
  218   2HD1  LEU  31          3HD1      LEU  31  -4.886  -4.553  -0.321
  219   3HD1  LEU  31          2HD1      LEU  31  -5.764  -5.326   0.997
  220   1HD2  LEU  31          2HD2      LEU  31  -3.751  -7.467  -2.023
  221   2HD2  LEU  31          1HD2      LEU  31  -4.527  -5.898  -2.240
  222   3HD2  LEU  31          3HD2      LEU  31  -2.986  -6.009  -1.390
  223    H    ASP  32           H        ASP  32  -2.730  -8.682   2.393
  224    HA   ASP  32           HA       ASP  32  -1.276  -9.975   3.638
  225   1HB   ASP  32          2HB       ASP  32  -3.968 -11.263   3.788
  226   2HB   ASP  32          1HB       ASP  32  -2.597 -12.046   4.576
  227    H    LEU  33           H        LEU  33  -1.314 -10.644   0.711
  228    HA   LEU  33           HA       LEU  33   0.555 -12.230   0.036
  229   1HB   LEU  33          2HB       LEU  33  -0.037 -14.626   0.024
  230   2HB   LEU  33          1HB       LEU  33   0.063 -14.012   1.669
  231    HG   LEU  33           HG       LEU  33  -2.577 -13.558   1.116
  232   1HD1  LEU  33          2HD1      LEU  33  -1.586 -15.657  -0.725
  233   2HD1  LEU  33          1HD1      LEU  33  -3.046 -16.073   0.171
  234   3HD1  LEU  33          3HD1      LEU  33  -3.017 -14.636  -0.848
  235   1HD2  LEU  33          2HD2      LEU  33  -1.014 -15.665   2.495
  236   2HD2  LEU  33          1HD2      LEU  33  -2.331 -14.662   3.104
  237   3HD2  LEU  33          3HD2      LEU  33  -2.687 -16.093   2.139
  238    H    ARG  34           H        ARG  34   0.548 -12.536  -2.130
  239    HA   ARG  34           HA       ARG  34  -1.632 -13.410  -3.678
  240   1HB   ARG  34          2HB       ARG  34  -2.590 -11.194  -2.978
  241   2HB   ARG  34          1HB       ARG  34  -1.257 -10.407  -3.819
  242   1HG   ARG  34          2HG       ARG  34  -2.620 -10.462  -5.634
  243   2HG   ARG  34          1HG       ARG  34  -2.176 -12.165  -5.734
  244   1HD   ARG  34          2HD       ARG  34  -4.137 -12.430  -3.965
  245   2HD   ARG  34          1HD       ARG  34  -4.682 -10.914  -4.675
  246    HE   ARG  34           HE       ARG  34  -4.175 -12.547  -6.832
  247   1HH1  ARG  34          1HH1      ARG  34  -6.734 -14.769  -5.033
  248   2HH1  ARG  34          2HH1      ARG  34  -5.061 -14.589  -4.623
  249   1HH2  ARG  34          1HH2      ARG  34  -6.807 -11.975  -7.085
  250   2HH2  ARG  34          2HH2      ARG  34  -7.722 -13.290  -6.426
  251    H    PHE  35           H        PHE  35   1.179 -11.268  -3.574
  252    HA   PHE  35           HA       PHE  35   1.887 -11.439  -6.300
  253   1HB   PHE  35          2HB       PHE  35   3.334 -10.732  -3.783
  254   2HB   PHE  35          1HB       PHE  35   4.276 -11.021  -5.245
  255    HD1  PHE  35           HD2      PHE  35   0.942  -9.417  -4.577
  256    HD2  PHE  35           HD1      PHE  35   4.874  -9.011  -6.261
  257    HE1  PHE  35           HE2      PHE  35   0.353  -7.158  -5.408
  258    HE2  PHE  35           HE1      PHE  35   4.284  -6.751  -7.091
  259    HZ   PHE  35           HZ       PHE  35   2.022  -5.826  -6.663
  260    H    GLU  36           H        GLU  36   2.659 -13.475  -3.521
  261    HA   GLU  36           HA       GLU  36   4.227 -15.261  -5.256
  262   1HB   GLU  36          2HB       GLU  36   4.756 -14.402  -2.726
  263   2HB   GLU  36          1HB       GLU  36   3.940 -15.927  -2.387
  264   1HG   GLU  36          2HG       GLU  36   5.506 -16.919  -4.206
  265   2HG   GLU  36          1HG       GLU  36   6.458 -15.453  -3.974
  266    H    ASP  37           H        ASP  37   1.379 -15.085  -5.561
  267    HA   ASP  37           HA       ASP  37   0.631 -17.832  -4.761
  268   1HB   ASP  37          2HB       ASP  37  -0.588 -15.784  -3.633
  269   2HB   ASP  37          1HB       ASP  37  -1.465 -15.734  -5.164
  270    H    ILE  38           H        ILE  38   0.075 -15.185  -7.068
  271    HA   ILE  38           HA       ILE  38  -1.134 -16.989  -9.002
  272    HB   ILE  38           HB       ILE  38  -0.268 -14.151  -9.549
  273   1HG1  ILE  38          2HG1      ILE  38  -2.899 -15.068  -8.336
  274   2HG1  ILE  38          1HG1      ILE  38  -1.631 -14.218  -7.455
  275   1HG2  ILE  38          1HG2      ILE  38  -1.003 -15.638 -11.423
  276   2HG2  ILE  38          3HG2      ILE  38  -2.553 -15.841 -10.606
  277   3HG2  ILE  38          2HG2      ILE  38  -2.065 -14.250 -11.188
  278   1HD1  ILE  38          3HD1      ILE  38  -2.464 -12.923  -9.979
  279   2HD1  ILE  38          2HD1      ILE  38  -3.701 -12.967  -8.723
  280   3HD1  ILE  38          1HD1      ILE  38  -2.142 -12.209  -8.399
  281    H    GLY  39           H        GLY  39   1.967 -15.483  -8.397
  282   1HA   GLY  39          2HA       GLY  39   3.811 -16.966  -9.372
  283   2HA   GLY  39          1HA       GLY  39   3.019 -16.636 -10.907
  284    H    TYR  40           H        TYR  40   2.591 -13.833  -9.261
  285    HA   TYR  40           HA       TYR  40   4.410 -12.341 -10.790
  286   1HB   TYR  40          2HB       TYR  40   2.913 -11.712  -8.245
  287   2HB   TYR  40          1HB       TYR  40   3.950 -10.531  -9.044
  288    HD1  TYR  40           HD2      TYR  40   0.865 -12.535  -9.329
  289    HD2  TYR  40           HD1      TYR  40   3.353  -9.569 -11.197
  290    HE1  TYR  40           HE2      TYR  40  -0.959 -12.011 -10.925
  291    HE2  TYR  40           HE1      TYR  40   1.527  -9.047 -12.793
  292    HH   TYR  40           HH       TYR  40  -1.467  -9.613 -12.413
  293    H    ASP  41           H        ASP  41   6.556 -12.421 -10.675
  294    HA   ASP  41           HA       ASP  41   7.818 -12.938  -8.064
  295   1HB   ASP  41          2HB       ASP  41   9.854 -13.476  -9.354
  296   2HB   ASP  41          1HB       ASP  41   8.487 -14.475  -9.840
  297    H    SER  42           H        SER  42   8.057 -10.784 -10.894
  298    HA   SER  42           HA       SER  42   8.362  -8.398  -9.559
  299   1HB   SER  42          2HB       SER  42  10.901  -9.943  -9.619
  300   2HB   SER  42          1HB       SER  42  11.012  -8.239 -10.050
  301    HG   SER  42           HG       SER  42  10.825  -9.290  -7.647
  302    H    LEU  43           H        LEU  43   9.566 -10.351 -12.236
  303    HA   LEU  43           HA       LEU  43  10.111  -8.147 -13.970
  304   1HB   LEU  43          2HB       LEU  43  10.711 -10.813 -14.033
  305   2HB   LEU  43          1HB       LEU  43   9.437 -10.722 -15.245
  306    HG   LEU  43           HG       LEU  43  11.635 -10.367 -16.285
  307   1HD1  LEU  43          2HD1      LEU  43   9.585  -9.099 -17.072
  308   2HD1  LEU  43          1HD1      LEU  43  10.175  -7.718 -16.148
  309   3HD1  LEU  43          3HD1      LEU  43  11.128  -8.351 -17.490
  310   1HD2  LEU  43          2HD2      LEU  43  12.421  -9.237 -13.989
  311   2HD2  LEU  43          1HD2      LEU  43  13.209  -8.861 -15.522
  312   3HD2  LEU  43          3HD2      LEU  43  11.994  -7.765 -14.862
  313    H    ALA  44           H        ALA  44   7.211  -9.855 -13.127
  314    HA   ALA  44           HA       ALA  44   5.786  -8.948 -15.506
  315   1HB   ALA  44          3HB       ALA  44   5.463 -11.184 -14.117
  316   2HB   ALA  44          2HB       ALA  44   4.373 -10.164 -13.178
  317   3HB   ALA  44          1HB       ALA  44   4.099 -10.391 -14.906
  318    H    LEU  45           H        LEU  45   5.294  -8.614 -11.985
  319    HA   LEU  45           HA       LEU  45   3.345  -6.598 -12.154
  320   1HB   LEU  45          2HB       LEU  45   3.933  -6.125  -9.770
  321   2HB   LEU  45          1HB       LEU  45   3.619  -7.826 -10.104
  322    HG   LEU  45           HG       LEU  45   6.327  -7.643 -10.595
  323   1HD1  LEU  45          1HD1      LEU  45   5.898  -5.251  -9.472
  324   2HD1  LEU  45          3HD1      LEU  45   6.055  -6.207  -7.997
  325   3HD1  LEU  45          2HD1      LEU  45   7.373  -6.172  -9.169
  326   1HD2  LEU  45          3HD2      LEU  45   4.564  -8.661  -8.466
  327   2HD2  LEU  45          2HD2      LEU  45   5.918  -9.448  -9.273
  328   3HD2  LEU  45          1HD2      LEU  45   6.215  -8.356  -7.922
  329    H    MET  46           H        MET  46   6.864  -6.398 -12.063
  330    HA   MET  46           HA       MET  46   6.947  -3.555 -11.674
  331   1HB   MET  46          2HB       MET  46   8.825  -5.200 -11.164
  332   2HB   MET  46          1HB       MET  46   9.138  -5.228 -12.899
  333   1HG   MET  46          2HG       MET  46  10.542  -3.497 -12.302
  334   2HG   MET  46          1HG       MET  46   9.066  -2.577 -12.579
  335   1HE   MET  46          1HE       MET  46   9.731  -0.644 -11.291
  336   2HE   MET  46          3HE       MET  46  10.264  -0.594  -9.606
  337   3HE   MET  46          2HE       MET  46  11.310  -1.284 -10.844
  338    H    GLU  47           H        GLU  47   6.513  -5.611 -14.439
  339    HA   GLU  47           HA       GLU  47   7.412  -3.714 -16.399
  340   1HB   GLU  47          2HB       GLU  47   7.178  -6.257 -16.690
  341   2HB   GLU  47          1HB       GLU  47   5.456  -5.948 -16.917
  342   1HG   GLU  47          2HG       GLU  47   6.513  -5.961 -19.099
  343   2HG   GLU  47          1HG       GLU  47   6.058  -4.301 -18.718
  344    H    THR  48           H        THR  48   4.151  -4.972 -15.688
  345    HA   THR  48           HA       THR  48   2.732  -3.052 -17.157
  346    HB   THR  48           HB       THR  48   1.735  -4.398 -14.643
  347    HG1  THR  48           HG1      THR  48   1.890  -5.346 -17.310
  348   1HG2  THR  48          3HG2      THR  48   0.520  -3.029 -17.006
  349   2HG2  THR  48          2HG2      THR  48  -0.350  -4.381 -16.282
  350   3HG2  THR  48          1HG2      THR  48   0.046  -2.965 -15.308
  351    H    ALA  49           H        ALA  49   3.568  -3.113 -13.702
  352    HA   ALA  49           HA       ALA  49   2.280  -0.707 -12.991
  353   1HB   ALA  49          2HB       ALA  49   3.083  -2.321 -11.318
  354   2HB   ALA  49          1HB       ALA  49   4.750  -1.962 -11.769
  355   3HB   ALA  49          3HB       ALA  49   3.751  -0.716 -11.019
  356    H    ALA  50           H        ALA  50   5.567  -1.373 -14.128
  357    HA   ALA  50           HA       ALA  50   6.743   1.121 -13.792
  358   1HB   ALA  50          2HB       ALA  50   7.133  -1.046 -15.833
  359   2HB   ALA  50          1HB       ALA  50   8.026   0.469 -15.961
  360   3HB   ALA  50          3HB       ALA  50   8.206  -0.543 -14.528
  361    H    ARG  51           H        ARG  51   4.778  -0.050 -16.508
  362    HA   ARG  51           HA       ARG  51   4.996   2.313 -18.071
  363   1HB   ARG  51          2HB       ARG  51   4.086  -0.095 -18.676
  364   2HB   ARG  51          1HB       ARG  51   2.541   0.609 -18.195
  365   1HG   ARG  51          2HG       ARG  51   3.386   2.614 -19.737
  366   2HG   ARG  51          1HG       ARG  51   4.313   1.319 -20.495
  367   1HD   ARG  51          2HD       ARG  51   1.435   0.792 -19.925
  368   2HD   ARG  51          1HD       ARG  51   1.808   1.892 -21.247
  369    HE   ARG  51           HE       ARG  51   3.140  -0.734 -21.200
  370   1HH1  ARG  51          2HH1      ARG  51   2.990   1.238 -23.563
  371   2HH1  ARG  51          1HH1      ARG  51   1.832   0.448 -24.580
  372   1HH2  ARG  51          1HH2      ARG  51   0.692  -1.671 -22.084
  373   2HH2  ARG  51          2HH2      ARG  51   0.529  -1.198 -23.742
  374    H    LEU  52           H        LEU  52   2.672   1.204 -15.647
  375    HA   LEU  52           HA       LEU  52   1.131   3.675 -15.886
  376   1HB   LEU  52          2HB       LEU  52   0.237   1.229 -15.444
  377   2HB   LEU  52          1HB       LEU  52   0.585   1.646 -13.765
  378    HG   LEU  52           HG       LEU  52  -0.671   3.909 -14.517
  379   1HD1  LEU  52          3HD1      LEU  52  -1.527   1.743 -16.404
  380   2HD1  LEU  52          2HD1      LEU  52  -2.737   2.888 -15.825
  381   3HD1  LEU  52          1HD1      LEU  52  -1.322   3.468 -16.703
  382   1HD2  LEU  52          1HD2      LEU  52  -1.166   1.988 -12.739
  383   2HD2  LEU  52          3HD2      LEU  52  -2.400   3.177 -13.157
  384   3HD2  LEU  52          2HD2      LEU  52  -2.437   1.573 -13.889
  385    H    GLU  53           H        GLU  53   3.996   3.277 -14.600
  386    HA   GLU  53           HA       GLU  53   3.466   4.286 -11.910
  387   1HB   GLU  53          2HB       GLU  53   5.324   2.599 -12.552
  388   2HB   GLU  53          1HB       GLU  53   6.195   4.014 -13.141
  389   1HG   GLU  53          2HG       GLU  53   6.138   5.049 -10.965
  390   2HG   GLU  53          1HG       GLU  53   5.039   3.815 -10.349
  391    H    SER  54           H        SER  54   2.986   5.871 -14.522
  392    HA   SER  54           HA       SER  54   4.836   8.104 -14.102
  393   1HB   SER  54          2HB       SER  54   2.692   7.702 -16.200
  394   2HB   SER  54          1HB       SER  54   3.820   9.052 -16.134
  395    HG   SER  54           HG       SER  54   4.276   6.339 -16.704
  396    H    ARG  55           H        ARG  55   1.414   7.268 -13.899
  397    HA   ARG  55           HA       ARG  55   0.414   9.847 -13.337
  398   1HB   ARG  55          2HB       ARG  55  -1.538   8.682 -12.370
  399   2HB   ARG  55          1HB       ARG  55  -1.077   7.997 -13.928
  400   1HG   ARG  55          2HG       ARG  55   0.211   6.225 -12.711
  401   2HG   ARG  55          1HG       ARG  55  -0.412   6.870 -11.192
  402   1HD   ARG  55          2HD       ARG  55  -2.083   5.799 -13.481
  403   2HD   ARG  55          1HD       ARG  55  -1.782   4.977 -11.954
  404    HE   ARG  55           HE       ARG  55  -3.618   7.183 -12.404
  405   1HH1  ARG  55          2HH1      ARG  55  -1.789   7.773 -10.002
  406   2HH1  ARG  55          1HH1      ARG  55  -2.739   7.142  -8.698
  407   1HH2  ARG  55          1HH2      ARG  55  -4.843   5.316 -10.760
  408   2HH2  ARG  55          2HH2      ARG  55  -4.467   5.752  -9.126
  409    H    TYR  56           H        TYR  56   1.736   7.315 -11.270
  410    HA   TYR  56           HA       TYR  56   1.130   8.552  -8.783
  411   1HB   TYR  56          2HB       TYR  56   3.348   6.610  -9.481
  412   2HB   TYR  56          1HB       TYR  56   2.829   7.025  -7.847
  413    HD1  TYR  56           HD2      TYR  56   0.637   6.311  -6.996
  414    HD2  TYR  56           HD1      TYR  56   1.971   5.225 -10.932
  415    HE1  TYR  56           HE2      TYR  56  -1.157   4.603  -7.132
  416    HE2  TYR  56           HE1      TYR  56   0.178   3.517 -11.068
  417    HH   TYR  56           HH       TYR  56  -1.211   2.182  -9.502
  418    H    GLY  57           H        GLY  57   4.046   8.509 -10.811
  419   1HA   GLY  57          2HA       GLY  57   5.641  10.173 -11.106
  420   2HA   GLY  57          1HA       GLY  57   4.773  11.169  -9.945
  421    H    VAL  58           H        VAL  58   5.643   7.911  -9.064
  422    HA   VAL  58           HA       VAL  58   7.634   9.010  -7.197
  423    HB   VAL  58           HB       VAL  58   5.711   7.923  -6.133
  424   1HG1  VAL  58          1HG1      VAL  58   6.323   5.839  -8.148
  425   2HG1  VAL  58          3HG1      VAL  58   5.902   5.241  -6.543
  426   3HG1  VAL  58          2HG1      VAL  58   4.782   6.284  -7.417
  427   1HG2  VAL  58          3HG2      VAL  58   8.020   7.731  -5.163
  428   2HG2  VAL  58          2HG2      VAL  58   6.936   6.419  -4.697
  429   3HG2  VAL  58          1HG2      VAL  58   8.157   6.154  -5.942
  430    H    SER  59           H        SER  59   9.500   7.673  -6.738
  431    HA   SER  59           HA       SER  59  10.236   5.480  -8.416
  432   1HB   SER  59          2HB       SER  59  11.870   6.494  -9.822
  433   2HB   SER  59          1HB       SER  59  10.410   7.463  -9.998
  434    HG   SER  59           HG       SER  59  11.593   9.068  -9.360
  435    H    ILE  60           H        ILE  60  10.239   6.266  -5.601
  436    HA   ILE  60           HA       ILE  60  13.069   6.511  -4.934
  437    HB   ILE  60           HB       ILE  60  10.785   6.203  -2.982
  438   1HG1  ILE  60          2HG1      ILE  60  12.007   8.770  -4.040
  439   2HG1  ILE  60          1HG1      ILE  60  10.444   8.138  -4.560
  440   1HG2  ILE  60          3HG2      ILE  60  13.604   7.294  -2.810
  441   2HG2  ILE  60          2HG2      ILE  60  12.410   7.430  -1.521
  442   3HG2  ILE  60          1HG2      ILE  60  12.984   5.841  -2.026
  443   1HD1  ILE  60          3HD1      ILE  60  10.929   8.418  -1.624
  444   2HD1  ILE  60          2HD1      ILE  60  10.627   9.885  -2.554
  445   3HD1  ILE  60          1HD1      ILE  60   9.429   8.592  -2.534
  446    HA   PRO  61           HA       PRO  61  12.261   2.169  -3.161
  447   1HB   PRO  61          2HB       PRO  61   9.964   0.848  -3.820
  448   2HB   PRO  61          1HB       PRO  61  10.119   1.907  -2.410
  449   1HG   PRO  61          2HG       PRO  61   8.706   2.378  -4.965
  450   2HG   PRO  61          1HG       PRO  61   8.412   3.080  -3.369
  451   1HD   PRO  61          2HD       PRO  61   9.759   4.319  -5.542
  452   2HD   PRO  61          1HD       PRO  61   9.658   4.916  -3.871
  453    H    ASP  62           H        ASP  62  13.900   1.597  -4.618
  454    HA   ASP  62           HA       ASP  62  13.096   0.473  -7.219
  455   1HB   ASP  62          2HB       ASP  62  15.736   1.391  -6.089
  456   2HB   ASP  62          1HB       ASP  62  15.648   0.397  -7.545
  457    H    ASP  63           H        ASP  63  14.826  -0.324  -4.239
  458    HA   ASP  63           HA       ASP  63  15.276  -3.068  -5.101
  459   1HB   ASP  63          2HB       ASP  63  15.836  -1.685  -2.466
  460   2HB   ASP  63          1HB       ASP  63  16.304  -3.340  -2.859
  461    H    VAL  64           H        VAL  64  13.419  -1.398  -2.555
  462    HA   VAL  64           HA       VAL  64  12.206  -3.700  -1.475
  463    HB   VAL  64           HB       VAL  64  12.206  -1.501  -0.342
  464   1HG1  VAL  64          2HG1      VAL  64  11.669  -0.255  -2.533
  465   2HG1  VAL  64          1HG1      VAL  64   9.986  -0.676  -2.211
  466   3HG1  VAL  64          3HG1      VAL  64  10.881   0.321  -1.063
  467   1HG2  VAL  64          1HG2      VAL  64  10.471  -3.346   0.087
  468   2HG2  VAL  64          3HG2      VAL  64  10.050  -1.727   0.643
  469   3HG2  VAL  64          2HG2      VAL  64   9.351  -2.356  -0.849
  470    H    ALA  65           H        ALA  65  11.151  -1.487  -4.034
  471    HA   ALA  65           HA       ALA  65   8.711  -2.959  -4.531
  472   1HB   ALA  65          3HB       ALA  65   8.929  -0.497  -4.956
  473   2HB   ALA  65          2HB       ALA  65  10.035  -0.869  -6.278
  474   3HB   ALA  65          1HB       ALA  65   8.358  -1.408  -6.354
  475    H    GLY  66           H        GLY  66  11.970  -2.839  -5.809
  476   1HA   GLY  66          2HA       GLY  66  11.565  -4.208  -8.237
  477   2HA   GLY  66          1HA       GLY  66  13.079  -4.153  -7.339
  478    H    ARG  67           H        ARG  67  11.696  -5.331  -4.935
  479    HA   ARG  67           HA       ARG  67  11.266  -8.081  -5.911
  480   1HB   ARG  67          2HB       ARG  67  13.267  -7.134  -3.884
  481   2HB   ARG  67          1HB       ARG  67  12.569  -8.748  -3.745
  482   1HG   ARG  67          2HG       ARG  67  13.275  -9.242  -6.068
  483   2HG   ARG  67          1HG       ARG  67  14.008  -7.641  -6.176
  484   1HD   ARG  67          2HD       ARG  67  15.631  -8.157  -4.515
  485   2HD   ARG  67          1HD       ARG  67  14.761  -9.601  -4.006
  486    HE   ARG  67           HE       ARG  67  15.976  -9.427  -6.700
  487   1HH1  ARG  67          2HH1      ARG  67  14.572 -11.940  -5.902
  488   2HH1  ARG  67          1HH1      ARG  67  15.866 -12.934  -5.321
  489   1HH2  ARG  67          1HH2      ARG  67  18.086 -10.295  -4.960
  490   2HH2  ARG  67          2HH2      ARG  67  17.855 -12.002  -4.788
  491    H    VAL  68           H        VAL  68   9.082  -6.824  -5.440
  492    HA   VAL  68           HA       VAL  68   8.300  -6.816  -2.649
  493    HB   VAL  68           HB       VAL  68   7.358  -5.164  -4.223
  494   1HG1  VAL  68          3HG1      VAL  68   6.142  -7.611  -5.538
  495   2HG1  VAL  68          2HG1      VAL  68   5.670  -5.949  -5.892
  496   3HG1  VAL  68          1HG1      VAL  68   7.306  -6.496  -6.256
  497   1HG2  VAL  68          2HG2      VAL  68   6.008  -6.553  -2.262
  498   2HG2  VAL  68          1HG2      VAL  68   5.393  -5.118  -3.083
  499   3HG2  VAL  68          3HG2      VAL  68   4.922  -6.724  -3.642
  500    H    ASP  69           H        ASP  69   7.212  -8.373  -1.570
  501    HA   ASP  69           HA       ASP  69   6.607 -10.856  -3.063
  502   1HB   ASP  69          2HB       ASP  69   7.696 -10.362  -0.317
  503   2HB   ASP  69          1HB       ASP  69   6.776 -11.834  -0.635
  504    H    THR  70           H        THR  70   5.323  -8.415  -0.938
  505    HA   THR  70           HA       THR  70   2.828  -9.978  -0.668
  506    HB   THR  70           HB       THR  70   2.446  -7.939   1.051
  507    HG1  THR  70           HG1      THR  70   5.229  -8.465   1.117
  508   1HG2  THR  70          3HG2      THR  70   3.954 -10.526   1.486
  509   2HG2  THR  70          2HG2      THR  70   3.394  -9.504   2.810
  510   3HG2  THR  70          1HG2      THR  70   2.229 -10.236   1.708
  511    HA   PRO  71           HA       PRO  71   0.831  -6.977  -3.232
  512   1HB   PRO  71          2HB       PRO  71  -1.758  -7.340  -2.448
  513   2HB   PRO  71          1HB       PRO  71  -0.866  -8.494  -3.447
  514   1HG   PRO  71          2HG       PRO  71  -1.645  -8.689  -0.603
  515   2HG   PRO  71          1HG       PRO  71  -1.302  -9.973  -1.765
  516   1HD   PRO  71          2HD       PRO  71   0.439  -9.010   0.269
  517   2HD   PRO  71          1HD       PRO  71   0.850 -10.150  -1.034
  518    H    ARG  72           H        ARG  72  -0.755  -6.934  -0.022
  519    HA   ARG  72           HA       ARG  72  -1.537  -4.239  -0.059
  520   1HB   ARG  72          2HB       ARG  72  -2.278  -5.988   1.604
  521   2HB   ARG  72          1HB       ARG  72  -0.732  -5.769   2.421
  522   1HG   ARG  72          2HG       ARG  72  -1.259  -3.312   2.595
  523   2HG   ARG  72          1HG       ARG  72  -2.870  -3.670   1.972
  524   1HD   ARG  72          2HD       ARG  72  -2.737  -5.512   3.940
  525   2HD   ARG  72          1HD       ARG  72  -1.685  -4.280   4.628
  526    HE   ARG  72           HE       ARG  72  -3.620  -2.709   4.316
  527   1HH1  ARG  72          1HH2      ARG  72  -4.718  -5.655   3.234
  528   2HH1  ARG  72          2HH2      ARG  72  -6.070  -5.779   4.308
  529   1HH2  ARG  72          2HH1      ARG  72  -5.107  -3.072   6.252
  530   2HH2  ARG  72          1HH1      ARG  72  -6.291  -4.315   6.019
  531    H    GLU  73           H        GLU  73   1.563  -5.695   0.638
  532    HA   GLU  73           HA       GLU  73   2.737  -3.531   2.040
  533   1HB   GLU  73          2HB       GLU  73   3.691  -5.853   1.910
  534   2HB   GLU  73          1HB       GLU  73   4.168  -5.505   0.248
  535   1HG   GLU  73          2HG       GLU  73   6.108  -4.914   1.391
  536   2HG   GLU  73          1HG       GLU  73   5.269  -3.364   1.333
  537    H    LEU  74           H        LEU  74   2.475  -4.290  -1.399
  538    HA   LEU  74           HA       LEU  74   4.210  -2.275  -2.354
  539   1HB   LEU  74          2HB       LEU  74   2.991  -4.268  -3.594
  540   2HB   LEU  74          1HB       LEU  74   1.773  -3.033  -3.913
  541    HG   LEU  74           HG       LEU  74   3.939  -1.607  -4.566
  542   1HD1  LEU  74          2HD1      LEU  74   4.723  -4.509  -4.859
  543   2HD1  LEU  74          1HD1      LEU  74   5.429  -3.258  -5.881
  544   3HD1  LEU  74          3HD1      LEU  74   5.646  -3.194  -4.132
  545   1HD2  LEU  74          3HD2      LEU  74   2.344  -3.597  -6.170
  546   2HD2  LEU  74          2HD2      LEU  74   2.245  -1.836  -6.180
  547   3HD2  LEU  74          1HD2      LEU  74   3.612  -2.648  -6.945
  548    H    LEU  75           H        LEU  75   0.874  -2.235  -1.297
  549    HA   LEU  75           HA       LEU  75   0.201   0.323  -2.378
  550   1HB   LEU  75          2HB       LEU  75  -1.530  -1.300  -1.781
  551   2HB   LEU  75          1HB       LEU  75  -1.032  -1.247  -0.095
  552    HG   LEU  75           HG       LEU  75  -1.495   1.397  -0.513
  553   1HD1  LEU  75          2HD1      LEU  75  -2.305   0.510  -2.900
  554   2HD1  LEU  75          1HD1      LEU  75  -3.794   0.224  -2.000
  555   3HD1  LEU  75          3HD1      LEU  75  -3.113   1.848  -2.083
  556   1HD2  LEU  75          3HD2      LEU  75  -3.533  -0.746   0.150
  557   2HD2  LEU  75          2HD2      LEU  75  -2.462   0.067   1.291
  558   3HD2  LEU  75          1HD2      LEU  75  -3.745   0.971   0.485
  559    H    ASP  76           H        ASP  76   1.137  -0.737   0.912
  560    HA   ASP  76           HA       ASP  76   1.090   1.897   1.976
  561   1HB   ASP  76          2HB       ASP  76   2.296   0.964   3.891
  562   2HB   ASP  76          1HB       ASP  76   0.957  -0.073   3.421
  563    H    LEU  77           H        LEU  77   3.405   0.206   0.102
  564    HA   LEU  77           HA       LEU  77   5.718   1.695   0.872
  565   1HB   LEU  77          2HB       LEU  77   5.383  -0.609  -0.481
  566   2HB   LEU  77          1HB       LEU  77   5.599   0.491  -1.839
  567    HG   LEU  77           HG       LEU  77   7.758  -0.404  -1.157
  568   1HD1  LEU  77          2HD1      LEU  77   7.635   1.961  -1.924
  569   2HD1  LEU  77          1HD1      LEU  77   7.490   2.473  -0.243
  570   3HD1  LEU  77          3HD1      LEU  77   8.966   1.686  -0.802
  571   1HD2  LEU  77          1HD2      LEU  77   6.808  -0.589   1.326
  572   2HD2  LEU  77          3HD2      LEU  77   8.539  -0.450   1.020
  573   3HD2  LEU  77          2HD2      LEU  77   7.610   0.973   1.492
  574    H    ILE  78           H        ILE  78   4.056   1.646  -2.288
  575    HA   ILE  78           HA       ILE  78   5.230   4.048  -3.210
  576    HB   ILE  78           HB       ILE  78   2.600   2.826  -4.091
  577   1HG1  ILE  78          2HG1      ILE  78   5.213   2.424  -5.506
  578   2HG1  ILE  78          1HG1      ILE  78   4.876   1.450  -4.076
  579   1HG2  ILE  78          1HG2      ILE  78   4.451   4.917  -5.212
  580   2HG2  ILE  78          3HG2      ILE  78   3.495   3.916  -6.303
  581   3HG2  ILE  78          2HG2      ILE  78   2.692   4.935  -5.108
  582   1HD1  ILE  78          3HD1      ILE  78   2.585   0.974  -5.197
  583   2HD1  ILE  78          2HD1      ILE  78   3.351   1.562  -6.674
  584   3HD1  ILE  78          1HD1      ILE  78   4.005   0.151  -5.842
  585    H    ASN  79           H        ASN  79   2.106   3.415  -1.678
  586    HA   ASN  79           HA       ASN  79   0.995   5.980  -1.879
  587   1HB   ASN  79          2HB       ASN  79  -0.135   3.823  -1.126
  588   2HB   ASN  79          1HB       ASN  79   0.577   4.119   0.459
  589   1HD2  ASN  79          2HD2      ASN  79  -2.812   5.657   0.418
  590   2HD2  ASN  79          1HD2      ASN  79  -2.202   4.084   0.235
  591    H    GLY  80           H        GLY  80   3.375   4.662   0.318
  592   1HA   GLY  80          2HA       GLY  80   3.236   6.901   2.158
  593   2HA   GLY  80          1HA       GLY  80   4.390   5.572   2.210
  594    H    ALA  81           H        ALA  81   5.077   5.978  -0.666
  595    HA   ALA  81           HA       ALA  81   7.298   7.704  -0.307
  596   1HB   ALA  81          1HB       ALA  81   6.045   6.444  -2.742
  597   2HB   ALA  81          3HB       ALA  81   7.444   7.511  -2.861
  598   3HB   ALA  81          2HB       ALA  81   7.554   6.011  -1.939
  599    H    LEU  82           H        LEU  82   4.392   8.073  -2.344
  600    HA   LEU  82           HA       LEU  82   4.904  10.725  -3.139
  601   1HB   LEU  82          2HB       LEU  82   2.262   9.277  -2.850
  602   2HB   LEU  82          1HB       LEU  82   2.487  10.808  -3.696
  603    HG   LEU  82           HG       LEU  82   4.241   8.499  -4.441
  604   1HD1  LEU  82          2HD1      LEU  82   1.768   7.763  -4.315
  605   2HD1  LEU  82          1HD1      LEU  82   1.505   8.868  -5.663
  606   3HD1  LEU  82          3HD1      LEU  82   2.609   7.505  -5.844
  607   1HD2  LEU  82          1HD2      LEU  82   4.402  10.893  -5.343
  608   2HD2  LEU  82          3HD2      LEU  82   4.295   9.615  -6.553
  609   3HD2  LEU  82          2HD2      LEU  82   2.872  10.580  -6.161
  610    H    ALA  83           H        ALA  83   3.332   9.378  -0.303
  611    HA   ALA  83           HA       ALA  83   2.149  11.765   0.666
  612   1HB   ALA  83          3HB       ALA  83   2.992   9.182   1.958
  613   2HB   ALA  83          2HB       ALA  83   2.408  10.528   2.936
  614   3HB   ALA  83          1HB       ALA  83   1.366   9.815   1.705
  615    H    GLU  84           H        GLU  84   5.375  10.414   0.891
  616    HA   GLU  84           HA       GLU  84   6.216  12.673   2.597
  617   1HB   GLU  84          2HB       GLU  84   7.493   9.994   2.027
  618   2HB   GLU  84          1HB       GLU  84   8.322  11.297   2.880
  619   1HG   GLU  84          2HG       GLU  84   5.600  10.353   3.767
  620   2HG   GLU  84          1HG       GLU  84   7.065   9.529   4.303
  621    H    ALA  85           H        ALA  85   5.657  12.926  -0.243
  622    HA   ALA  85           HA       ALA  85   8.369  13.430  -1.311
  623   1HB   ALA  85          1HB       ALA  85   5.733  13.091  -2.760
  624   2HB   ALA  85          3HB       ALA  85   7.263  13.499  -3.537
  625   3HB   ALA  85          2HB       ALA  85   7.070  11.940  -2.733
  626    H    ALA  86           HN       ALA  86   5.094  14.796  -1.097
  627    HA   ALA  86           HA       ALA  86   6.131  17.443  -1.822
  628   1HB   ALA  86          1HB       ALA  86   3.884  16.352  -2.653
  629   2HB   ALA  86          3HB       ALA  86   3.266  16.935  -1.107
  630   3HB   ALA  86          2HB       ALA  86   3.944  18.073  -2.271
   
  No H/Q in entry =         630
  Start of MODEL   20
    1   1H    MET   1          2H        MET   1   0.169  18.554  -4.710
    2   2H    MET   1          1H        MET   1  -0.901  19.873  -4.762
    3   3H    MET   1          3H        MET   1   0.131  19.672  -3.432
    4    HA   MET   1           HA       MET   1  -1.062  17.907  -2.572
    5   1HB   MET   1          2HB       MET   1  -2.288  20.193  -2.692
    6   2HB   MET   1          1HB       MET   1  -3.283  19.427  -3.931
    7   1HG   MET   1          2HG       MET   1  -4.512  18.896  -2.039
    8   2HG   MET   1          1HG       MET   1  -3.449  17.491  -2.126
    9   1HE   MET   1          2HE       MET   1  -3.609  16.769   0.147
   10   2HE   MET   1          1HE       MET   1  -1.902  16.754  -0.287
   11   3HE   MET   1          3HE       MET   1  -2.405  17.301   1.318
   12    H    ALA   2           H        ALA   2  -1.875  15.915  -2.921
   13    HA   ALA   2           HA       ALA   2  -3.026  15.288  -5.564
   14   1HB   ALA   2          2HB       ALA   2  -0.630  14.045  -4.280
   15   2HB   ALA   2          1HB       ALA   2  -1.718  13.014  -5.208
   16   3HB   ALA   2          3HB       ALA   2  -0.937  14.394  -5.981
   17    H    THR   3           H        THR   3  -3.969  12.997  -5.514
   18    HA   THR   3           HA       THR   3  -5.745  12.848  -3.226
   19    HB   THR   3           HB       THR   3  -5.671  10.761  -5.374
   20    HG1  THR   3           HG1      THR   3  -6.825  13.333  -5.649
   21   1HG2  THR   3          2HG2      THR   3  -7.641  12.005  -3.504
   22   2HG2  THR   3          1HG2      THR   3  -8.237  11.375  -5.040
   23   3HG2  THR   3          3HG2      THR   3  -7.402  10.306  -3.912
   24    H    LEU   4           H        LEU   4  -6.054  10.948  -1.952
   25    HA   LEU   4           HA       LEU   4  -3.531   9.614  -1.330
   26   1HB   LEU   4          2HB       LEU   4  -6.185   9.878   0.055
   27   2HB   LEU   4          1HB       LEU   4  -5.072   8.600   0.530
   28    HG   LEU   4           HG       LEU   4  -4.763  10.625   1.916
   29   1HD1  LEU   4          3HD1      LEU   4  -2.833   9.077   1.111
   30   2HD1  LEU   4          2HD1      LEU   4  -2.367  10.445   0.101
   31   3HD1  LEU   4          1HD1      LEU   4  -2.416  10.620   1.855
   32   1HD2  LEU   4          1HD2      LEU   4  -5.378  12.086  -0.227
   33   2HD2  LEU   4          3HD2      LEU   4  -4.349  12.732   1.052
   34   3HD2  LEU   4          2HD2      LEU   4  -3.626  12.099  -0.427
   35    H    LEU   5           H        LEU   5  -3.343   7.333  -1.140
   36    HA   LEU   5           HA       LEU   5  -5.108   5.881  -3.006
   37   1HB   LEU   5          2HB       LEU   5  -2.280   5.961  -2.706
   38   2HB   LEU   5          1HB       LEU   5  -2.795   4.348  -2.221
   39    HG   LEU   5           HG       LEU   5  -4.110   4.183  -4.346
   40   1HD1  LEU   5          3HD1      LEU   5  -2.697   6.800  -4.944
   41   2HD1  LEU   5          2HD1      LEU   5  -3.594   5.847  -6.125
   42   3HD1  LEU   5          1HD1      LEU   5  -4.436   6.574  -4.756
   43   1HD2  LEU   5          2HD2      LEU   5  -1.712   3.374  -4.076
   44   2HD2  LEU   5          1HD2      LEU   5  -2.206   3.709  -5.736
   45   3HD2  LEU   5          3HD2      LEU   5  -1.204   4.869  -4.864
   46    H    THR   6           H        THR   6  -6.016   3.902  -2.426
   47    HA   THR   6           HA       THR   6  -5.800   3.158   0.426
   48    HB   THR   6           HB       THR   6  -7.890   4.392   0.160
   49    HG1  THR   6           HG1      THR   6  -9.091   2.897   1.126
   50   1HG2  THR   6          2HG2      THR   6  -7.998   3.784  -2.359
   51   2HG2  THR   6          1HG2      THR   6  -8.815   2.319  -1.817
   52   3HG2  THR   6          3HG2      THR   6  -9.515   3.898  -1.468
   53    H    THR   7           H        THR   7  -6.767   0.939   0.812
   54    HA   THR   7           HA       THR   7  -5.426  -1.019  -0.657
   55    HB   THR   7           HB       THR   7  -7.973  -1.391   0.938
   56    HG1  THR   7           HG1      THR   7  -5.275  -1.533   1.787
   57   1HG2  THR   7          3HG2      THR   7  -5.927  -3.196  -0.239
   58   2HG2  THR   7          2HG2      THR   7  -6.506  -3.595   1.378
   59   3HG2  THR   7          1HG2      THR   7  -7.646  -3.470   0.038
   60    H    ASP   8           H        ASP   8  -8.713   0.218  -0.959
   61    HA   ASP   8           HA       ASP   8  -9.736  -1.610  -2.828
   62   1HB   ASP   8          2HB       ASP   8 -10.345   1.353  -2.656
   63   2HB   ASP   8          1HB       ASP   8 -11.353   0.119  -3.413
   64    H    ASP   9           H        ASP   9  -7.823   1.330  -3.236
   65    HA   ASP   9           HA       ASP   9  -7.873   1.386  -6.080
   66   1HB   ASP   9          2HB       ASP   9  -7.094   3.230  -4.404
   67   2HB   ASP   9          1HB       ASP   9  -5.541   2.396  -4.469
   68    H    LEU  10           H        LEU  10  -5.915  -0.264  -3.682
   69    HA   LEU  10           HA       LEU  10  -3.728  -1.112  -5.187
   70   1HB   LEU  10          2HB       LEU  10  -4.439  -1.527  -2.655
   71   2HB   LEU  10          1HB       LEU  10  -5.023  -3.050  -3.316
   72    HG   LEU  10           HG       LEU  10  -2.190  -1.974  -3.505
   73   1HD1  LEU  10          1HD1      LEU  10  -2.969  -2.959  -1.312
   74   2HD1  LEU  10          3HD1      LEU  10  -3.262  -4.474  -2.168
   75   3HD1  LEU  10          2HD1      LEU  10  -1.625  -3.823  -2.058
   76   1HD2  LEU  10          3HD2      LEU  10  -3.442  -4.503  -4.634
   77   2HD2  LEU  10          2HD2      LEU  10  -2.717  -3.187  -5.557
   78   3HD2  LEU  10          1HD2      LEU  10  -1.704  -4.213  -4.542
   79    H    ARG  11           H        ARG  11  -6.719  -2.950  -4.555
   80    HA   ARG  11           HA       ARG  11  -6.196  -5.055  -6.339
   81   1HB   ARG  11          2HB       ARG  11  -8.138  -4.585  -4.525
   82   2HB   ARG  11          1HB       ARG  11  -9.030  -4.243  -6.006
   83   1HG   ARG  11          2HG       ARG  11  -7.788  -6.515  -6.765
   84   2HG   ARG  11          1HG       ARG  11  -7.899  -6.814  -5.029
   85   1HD   ARG  11          2HD       ARG  11 -10.299  -5.831  -6.549
   86   2HD   ARG  11          1HD       ARG  11  -9.884  -7.540  -6.566
   87    HE   ARG  11           HE       ARG  11 -10.514  -7.677  -4.317
   88   1HH1  ARG  11          2HH1      ARG  11  -9.175  -5.445  -3.018
   89   2HH1  ARG  11          1HH1      ARG  11 -10.451  -4.331  -2.659
   90   1HH2  ARG  11          1HH2      ARG  11 -12.693  -5.774  -4.876
   91   2HH2  ARG  11          2HH2      ARG  11 -12.443  -4.517  -3.711
   92    H    ARG  12           H        ARG  12  -8.257  -2.190  -6.832
   93    HA   ARG  12           HA       ARG  12  -9.046  -2.673  -9.451
   94   1HB   ARG  12          2HB       ARG  12  -9.574  -0.710  -7.714
   95   2HB   ARG  12          1HB       ARG  12  -8.407   0.140  -8.728
   96   1HG   ARG  12          2HG       ARG  12 -10.259   0.577 -10.001
   97   2HG   ARG  12          1HG       ARG  12  -9.920  -1.029 -10.649
   98   1HD   ARG  12          2HD       ARG  12 -11.435  -1.999  -8.920
   99   2HD   ARG  12          1HD       ARG  12 -11.831  -0.367  -8.392
  100    HE   ARG  12           HE       ARG  12 -12.367  -1.249 -11.169
  101   1HH1  ARG  12          2HH1      ARG  12 -13.330   1.342 -11.064
  102   2HH1  ARG  12          1HH1      ARG  12 -14.898   1.277 -10.329
  103   1HH2  ARG  12          1HH2      ARG  12 -14.411  -1.866  -8.947
  104   2HH2  ARG  12          2HH2      ARG  12 -15.509  -0.540  -9.130
  105    H    ALA  13           H        ALA  13  -5.927  -1.675  -8.288
  106    HA   ALA  13           HA       ALA  13  -5.031  -0.615 -10.827
  107   1HB   ALA  13          1HB       ALA  13  -3.581  -1.300  -8.266
  108   2HB   ALA  13          3HB       ALA  13  -2.772  -0.659  -9.696
  109   3HB   ALA  13          2HB       ALA  13  -3.998   0.303  -8.870
  110    H    LEU  14           H        LEU  14  -4.216  -3.483  -8.882
  111    HA   LEU  14           HA       LEU  14  -2.510  -4.720 -10.714
  112   1HB   LEU  14          2HB       LEU  14  -4.156  -5.654  -8.408
  113   2HB   LEU  14          1HB       LEU  14  -3.478  -6.871  -9.487
  114    HG   LEU  14           HG       LEU  14  -1.709  -4.654  -8.512
  115   1HD1  LEU  14          2HD1      LEU  14  -3.114  -6.009  -6.646
  116   2HD1  LEU  14          1HD1      LEU  14  -1.795  -7.150  -6.899
  117   3HD1  LEU  14          3HD1      LEU  14  -1.444  -5.498  -6.397
  118   1HD2  LEU  14          3HD2      LEU  14  -1.222  -6.619 -10.227
  119   2HD2  LEU  14          2HD2      LEU  14   0.006  -6.120  -9.065
  120   3HD2  LEU  14          1HD2      LEU  14  -0.975  -7.550  -8.749
  121    H    VAL  15           H        VAL  15  -5.980  -4.480 -10.686
  122    HA   VAL  15           HA       VAL  15  -6.435  -6.683 -12.493
  123    HB   VAL  15           HB       VAL  15  -8.277  -4.373 -11.818
  124   1HG1  VAL  15          3HG1      VAL  15  -8.830  -5.757 -13.844
  125   2HG1  VAL  15          2HG1      VAL  15  -8.890  -7.176 -12.800
  126   3HG1  VAL  15          1HG1      VAL  15 -10.041  -5.862 -12.567
  127   1HG2  VAL  15          2HG2      VAL  15  -7.274  -6.057  -9.965
  128   2HG2  VAL  15          1HG2      VAL  15  -8.937  -5.475  -9.908
  129   3HG2  VAL  15          3HG2      VAL  15  -8.584  -7.067 -10.578
  130    H    GLU  16           H        GLU  16  -6.237  -3.156 -12.724
  131    HA   GLU  16           HA       GLU  16  -6.888  -2.936 -15.467
  132   1HB   GLU  16          2HB       GLU  16  -5.444  -1.185 -13.507
  133   2HB   GLU  16          1HB       GLU  16  -5.438  -0.768 -15.221
  134   1HG   GLU  16          2HG       GLU  16  -7.797  -0.569 -15.298
  135   2HG   GLU  16          1HG       GLU  16  -8.002  -1.424 -13.769
  136    H    CYS  17           H        CYS  17  -3.964  -3.871 -13.818
  137    HA   CYS  17           HA       CYS  17  -2.046  -3.317 -15.785
  138   1HB   CYS  17          2HB       CYS  17  -2.244  -5.363 -13.600
  139   2HB   CYS  17          1HB       CYS  17  -0.918  -5.439 -14.758
  140    HG   CYS  17           HG       CYS  17  -0.007  -3.853 -12.981
  141    H    ALA  18           H        ALA  18  -4.365  -5.935 -15.485
  142    HA   ALA  18           HA       ALA  18  -3.228  -7.352 -17.779
  143   1HB   ALA  18          2HB       ALA  18  -4.372  -8.352 -15.583
  144   2HB   ALA  18          1HB       ALA  18  -5.823  -8.174 -16.570
  145   3HB   ALA  18          3HB       ALA  18  -4.482  -9.166 -17.143
  146    H    GLY  19           H        GLY  19  -6.489  -6.222 -16.872
  147   1HA   GLY  19          2HA       GLY  19  -7.047  -4.613 -19.041
  148   2HA   GLY  19          1HA       GLY  19  -7.438  -6.247 -19.574
  149    H    GLU  20           H        GLU  20  -9.548  -6.591 -19.443
  150    HA   GLU  20           HA       GLU  20 -11.036  -5.454 -17.153
  151   1HB   GLU  20          2HB       GLU  20 -11.728  -5.892 -20.013
  152   2HB   GLU  20          1HB       GLU  20 -13.009  -6.153 -18.830
  153   1HG   GLU  20          2HG       GLU  20 -11.361  -3.698 -18.488
  154   2HG   GLU  20          1HG       GLU  20 -12.468  -3.721 -19.861
  155    H    THR  21           H        THR  21 -11.780  -6.826 -15.681
  156    HA   THR  21           HA       THR  21 -12.966  -9.323 -16.224
  157    HB   THR  21           HB       THR  21 -10.794 -10.188 -16.761
  158    HG1  THR  21           HG1      THR  21 -11.938 -11.563 -15.453
  159   1HG2  THR  21          3HG2      THR  21  -9.948  -8.322 -14.687
  160   2HG2  THR  21          2HG2      THR  21  -9.234  -9.919 -14.463
  161   3HG2  THR  21          1HG2      THR  21  -9.005  -9.058 -15.984
  162    H    ASP  22           H        ASP  22 -14.384  -9.418 -14.641
  163    HA   ASP  22           HA       ASP  22 -13.684  -8.317 -12.001
  164   1HB   ASP  22          2HB       ASP  22 -16.150  -8.461 -11.574
  165   2HB   ASP  22          1HB       ASP  22 -15.725  -7.398 -12.916
  166    H    GLY  23           H        GLY  23 -12.690 -10.891 -12.927
  167   1HA   GLY  23          2HA       GLY  23 -14.244 -12.905 -11.505
  168   2HA   GLY  23          1HA       GLY  23 -12.748 -13.172 -12.396
  169    H    THR  24           H        THR  24 -14.015 -11.655  -9.444
  170    HA   THR  24           HA       THR  24 -11.945 -12.840  -7.837
  171    HB   THR  24           HB       THR  24 -11.896  -9.896  -7.526
  172    HG1  THR  24           HG1      THR  24 -10.482  -9.647  -9.259
  173   1HG2  THR  24          2HG2      THR  24 -10.548 -11.553  -6.199
  174   2HG2  THR  24          1HG2      THR  24  -9.686 -11.960  -7.683
  175   3HG2  THR  24          3HG2      THR  24  -9.575 -10.331  -7.016
  176    H    ASP  25           H        ASP  25 -12.823 -13.273  -5.944
  177    HA   ASP  25           HA       ASP  25 -15.014 -11.547  -4.959
  178   1HB   ASP  25          2HB       ASP  25 -15.997 -13.615  -3.938
  179   2HB   ASP  25          1HB       ASP  25 -16.019 -13.609  -5.702
  180    H    LEU  26           H        LEU  26 -13.005 -10.570  -3.979
  181    HA   LEU  26           HA       LEU  26 -12.757 -11.578  -1.261
  182   1HB   LEU  26          2HB       LEU  26 -10.151 -11.047  -1.538
  183   2HB   LEU  26          1HB       LEU  26 -10.807 -12.657  -1.799
  184    HG   LEU  26           HG       LEU  26 -11.042 -11.970  -4.280
  185   1HD1  LEU  26          1HD1      LEU  26  -9.470  -9.688  -3.126
  186   2HD1  LEU  26          3HD1      LEU  26  -9.118 -10.234  -4.766
  187   3HD1  LEU  26          2HD1      LEU  26 -10.735  -9.660  -4.355
  188   1HD2  LEU  26          2HD2      LEU  26  -9.306 -13.514  -3.329
  189   2HD2  LEU  26          1HD2      LEU  26  -8.747 -12.613  -4.738
  190   3HD2  LEU  26          3HD2      LEU  26  -8.245 -12.120  -3.122
  191    H    SER  27           H        SER  27 -13.151  -9.912  -0.011
  192    HA   SER  27           HA       SER  27 -11.963  -7.301  -0.670
  193   1HB   SER  27          2HB       SER  27 -14.547  -7.695  -1.268
  194   2HB   SER  27          1HB       SER  27 -14.720  -7.260   0.429
  195    HG   SER  27           HG       SER  27 -14.733  -5.381  -0.759
  196    H    GLY  28           H        GLY  28 -10.544  -8.216   1.033
  197   1HA   GLY  28          2HA       GLY  28 -10.563  -6.919   3.383
  198   2HA   GLY  28          1HA       GLY  28 -11.615  -8.286   3.739
  199    H    ASP  29           H        ASP  29 -10.122 -10.063   1.897
  200    HA   ASP  29           HA       ASP  29  -7.564 -10.318   3.348
  201   1HB   ASP  29          2HB       ASP  29  -9.378 -11.832   4.304
  202   2HB   ASP  29          1HB       ASP  29  -9.336 -12.690   2.764
  203    H    PHE  30           H        PHE  30  -6.586  -9.510   1.429
  204    HA   PHE  30           HA       PHE  30  -6.074 -11.613  -0.519
  205   1HB   PHE  30          2HB       PHE  30  -6.610 -10.314  -2.466
  206   2HB   PHE  30          1HB       PHE  30  -8.025 -10.312  -1.422
  207    HD1  PHE  30           HD1      PHE  30  -7.905  -8.282   0.438
  208    HD2  PHE  30           HD2      PHE  30  -6.070  -8.280  -3.447
  209    HE1  PHE  30           HE1      PHE  30  -7.889  -5.804   0.442
  210    HE2  PHE  30           HE2      PHE  30  -6.054  -5.805  -3.438
  211    HZ   PHE  30           HZ       PHE  30  -6.965  -4.568  -1.499
  212    H    LEU  31           H        LEU  31  -4.580 -10.296   1.575
  213    HA   LEU  31           HA       LEU  31  -2.414  -9.178  -0.083
  214   1HB   LEU  31          2HB       LEU  31  -3.208  -8.145   2.647
  215   2HB   LEU  31          1HB       LEU  31  -1.917  -7.520   1.618
  216    HG   LEU  31           HG       LEU  31  -4.788  -7.671   0.684
  217   1HD1  LEU  31          3HD1      LEU  31  -4.021  -6.117   2.804
  218   2HD1  LEU  31          2HD1      LEU  31  -3.719  -5.029   1.448
  219   3HD1  LEU  31          1HD1      LEU  31  -5.328  -5.713   1.691
  220   1HD2  LEU  31          1HD2      LEU  31  -2.275  -6.260  -0.238
  221   2HD2  LEU  31          3HD2      LEU  31  -3.254  -7.428  -1.126
  222   3HD2  LEU  31          2HD2      LEU  31  -3.878  -5.807  -0.818
  223    H    ASP  32           H        ASP  32  -1.864 -11.497   0.077
  224    HA   ASP  32           HA       ASP  32   0.087 -11.869   2.208
  225   1HB   ASP  32          2HB       ASP  32  -2.331 -13.620   1.849
  226   2HB   ASP  32          1HB       ASP  32  -0.817 -14.306   2.441
  227    H    LEU  33           H        LEU  33  -1.569 -13.338  -0.561
  228    HA   LEU  33           HA       LEU  33   1.018 -13.836  -1.841
  229   1HB   LEU  33          2HB       LEU  33  -0.971 -15.960  -1.079
  230   2HB   LEU  33          1HB       LEU  33   0.039 -16.156  -2.511
  231    HG   LEU  33           HG       LEU  33   1.927 -15.381  -0.737
  232   1HD1  LEU  33          2HD1      LEU  33  -0.395 -16.409   0.815
  233   2HD1  LEU  33          1HD1      LEU  33   1.193 -17.021   1.278
  234   3HD1  LEU  33          3HD1      LEU  33   0.877 -15.286   1.301
  235   1HD2  LEU  33          2HD2      LEU  33   0.829 -18.037  -1.563
  236   2HD2  LEU  33          1HD2      LEU  33   2.415 -17.332  -1.879
  237   3HD2  LEU  33          3HD2      LEU  33   2.052 -18.014  -0.292
  238    H    ARG  34           H        ARG  34  -1.122 -11.951  -2.276
  239    HA   ARG  34           HA       ARG  34  -2.908 -12.715  -4.307
  240   1HB   ARG  34          2HB       ARG  34  -2.852 -10.533  -2.931
  241   2HB   ARG  34          1HB       ARG  34  -1.711  -9.955  -4.142
  242   1HG   ARG  34          2HG       ARG  34  -3.790 -11.115  -5.632
  243   2HG   ARG  34          1HG       ARG  34  -4.604 -10.248  -4.331
  244   1HD   ARG  34          2HD       ARG  34  -4.362  -8.453  -5.705
  245   2HD   ARG  34          1HD       ARG  34  -2.728  -8.412  -5.052
  246    HE   ARG  34           HE       ARG  34  -1.938  -9.127  -7.123
  247   1HH1  ARG  34          2HH1      ARG  34  -5.107  -8.247  -7.542
  248   2HH1  ARG  34          1HH1      ARG  34  -5.429  -9.265  -8.904
  249   1HH2  ARG  34          1HH2      ARG  34  -2.462 -11.037  -8.622
  250   2HH2  ARG  34          2HH2      ARG  34  -3.932 -10.842  -9.516
  251    H    PHE  35           H        PHE  35   0.412 -11.478  -4.470
  252    HA   PHE  35           HA       PHE  35   0.542 -11.146  -7.272
  253   1HB   PHE  35          2HB       PHE  35   2.612 -11.613  -5.143
  254   2HB   PHE  35          1HB       PHE  35   3.071 -11.619  -6.846
  255    HD1  PHE  35           HD2      PHE  35   1.577  -9.581  -8.140
  256    HD2  PHE  35           HD1      PHE  35   3.126  -9.581  -4.135
  257    HE1  PHE  35           HE2      PHE  35   1.565  -7.108  -8.139
  258    HE2  PHE  35           HE1      PHE  35   3.125  -7.103  -4.140
  259    HZ   PHE  35           HZ       PHE  35   2.342  -5.868  -6.143
  260    H    GLU  36           H        GLU  36   1.429 -13.899  -5.199
  261    HA   GLU  36           HA       GLU  36   1.923 -15.581  -7.527
  262   1HB   GLU  36          2HB       GLU  36   1.939 -16.289  -4.581
  263   2HB   GLU  36          1HB       GLU  36   2.524 -17.306  -5.898
  264   1HG   GLU  36          2HG       GLU  36   4.102 -15.389  -6.499
  265   2HG   GLU  36          1HG       GLU  36   3.659 -14.665  -4.953
  266    H    ASP  37           H        ASP  37  -0.325 -15.267  -8.289
  267    HA   ASP  37           HA       ASP  37  -1.980 -17.485  -7.382
  268   1HB   ASP  37          2HB       ASP  37  -2.557 -15.252  -6.103
  269   2HB   ASP  37          1HB       ASP  37  -3.372 -14.846  -7.613
  270    H    ILE  38           H        ILE  38  -2.050 -14.548  -9.419
  271    HA   ILE  38           HA       ILE  38  -3.456 -16.017 -11.510
  272    HB   ILE  38           HB       ILE  38  -3.711 -13.910 -12.634
  273   1HG1  ILE  38          2HG1      ILE  38  -2.602 -11.860 -11.322
  274   2HG1  ILE  38          1HG1      ILE  38  -1.415 -13.091 -10.892
  275   1HG2  ILE  38          2HG2      ILE  38  -4.769 -14.409 -10.201
  276   2HG2  ILE  38          1HG2      ILE  38  -3.916 -12.905  -9.846
  277   3HG2  ILE  38          3HG2      ILE  38  -5.134 -12.949 -11.122
  278   1HD1  ILE  38          2HD1      ILE  38  -1.787 -13.540 -13.597
  279   2HD1  ILE  38          1HD1      ILE  38  -1.901 -11.786 -13.479
  280   3HD1  ILE  38          3HD1      ILE  38  -0.460 -12.617 -12.897
  281    H    GLY  39           H        GLY  39  -0.286 -14.717 -10.828
  282   1HA   GLY  39          2HA       GLY  39   1.423 -16.262 -12.058
  283   2HA   GLY  39          1HA       GLY  39   0.711 -15.503 -13.481
  284    H    TYR  40           H        TYR  40   1.528 -14.175 -10.288
  285    HA   TYR  40           HA       TYR  40   3.426 -12.322 -11.598
  286   1HB   TYR  40          2HB       TYR  40   1.221 -11.719  -9.640
  287   2HB   TYR  40          1HB       TYR  40   2.649 -10.692  -9.726
  288    HD1  TYR  40           HD2      TYR  40   3.371 -10.276 -12.366
  289    HD2  TYR  40           HD1      TYR  40  -0.599 -10.942 -10.855
  290    HE1  TYR  40           HE2      TYR  40   2.424  -9.122 -14.345
  291    HE2  TYR  40           HE1      TYR  40  -1.541  -9.781 -12.835
  292    HH   TYR  40           HH       TYR  40  -0.158  -7.792 -14.634
  293    H    ASP  41           H        ASP  41   5.391 -12.832 -10.844
  294    HA   ASP  41           HA       ASP  41   5.619 -13.713  -8.032
  295   1HB   ASP  41          2HB       ASP  41   8.025 -14.357  -8.847
  296   2HB   ASP  41          1HB       ASP  41   6.663 -15.402  -9.232
  297    H    SER  42           H        SER  42   7.584 -11.879 -10.389
  298    HA   SER  42           HA       SER  42   7.793  -9.608  -8.656
  299   1HB   SER  42          2HB       SER  42  10.380 -11.095  -9.106
  300   2HB   SER  42          1HB       SER  42  10.084  -9.720  -8.047
  301    HG   SER  42           HG       SER  42   9.132 -11.012  -6.616
  302    H    LEU  43           H        LEU  43   9.901 -11.232 -11.032
  303    HA   LEU  43           HA       LEU  43  10.509  -8.872 -12.469
  304   1HB   LEU  43          2HB       LEU  43  10.973 -11.762 -12.787
  305   2HB   LEU  43          1HB       LEU  43  10.834 -10.898 -14.315
  306    HG   LEU  43           HG       LEU  43  13.172 -10.958 -13.556
  307   1HD1  LEU  43          2HD1      LEU  43  11.966  -8.861 -14.638
  308   2HD1  LEU  43          1HD1      LEU  43  12.344  -8.120 -13.082
  309   3HD1  LEU  43          3HD1      LEU  43  13.641  -8.755 -14.094
  310   1HD2  LEU  43          3HD2      LEU  43  11.912 -10.094 -11.024
  311   2HD2  LEU  43          2HD2      LEU  43  13.410 -10.983 -11.291
  312   3HD2  LEU  43          1HD2      LEU  43  13.390  -9.226 -11.439
  313    H    ALA  44           H        ALA  44   7.938 -11.240 -12.718
  314    HA   ALA  44           HA       ALA  44   6.958 -10.427 -15.268
  315   1HB   ALA  44          2HB       ALA  44   6.442 -12.605 -14.011
  316   2HB   ALA  44          1HB       ALA  44   5.275 -11.657 -13.090
  317   3HB   ALA  44          3HB       ALA  44   5.097 -11.820 -14.838
  318    H    LEU  45           H        LEU  45   6.145  -9.547 -11.928
  319    HA   LEU  45           HA       LEU  45   4.163  -7.633 -12.882
  320   1HB   LEU  45          2HB       LEU  45   3.414  -7.445 -10.663
  321   2HB   LEU  45          1HB       LEU  45   3.860  -9.135 -10.827
  322    HG   LEU  45           HG       LEU  45   6.231  -7.953  -9.980
  323   1HD1  LEU  45          2HD1      LEU  45   4.629  -5.930  -9.546
  324   2HD1  LEU  45          1HD1      LEU  45   4.077  -6.891  -8.174
  325   3HD1  LEU  45          3HD1      LEU  45   5.768  -6.402  -8.282
  326   1HD2  LEU  45          2HD2      LEU  45   4.010  -9.462  -8.618
  327   2HD2  LEU  45          1HD2      LEU  45   5.637 -10.009  -9.022
  328   3HD2  LEU  45          3HD2      LEU  45   5.389  -8.898  -7.676
  329    H    MET  46           H        MET  46   7.447  -7.537 -12.635
  330    HA   MET  46           HA       MET  46   7.690  -4.890 -11.458
  331   1HB   MET  46          2HB       MET  46   9.470  -6.632 -11.183
  332   2HB   MET  46          1HB       MET  46   9.789  -6.516 -12.913
  333   1HG   MET  46          2HG       MET  46  10.116  -4.003 -12.533
  334   2HG   MET  46          1HG       MET  46  10.147  -4.376 -10.809
  335   1HE   MET  46          1HE       MET  46  12.334  -3.062 -11.017
  336   2HE   MET  46          3HE       MET  46  13.853  -3.678 -11.684
  337   3HE   MET  46          2HE       MET  46  12.596  -3.071 -12.759
  338    H    GLU  47           H        GLU  47   7.584  -6.386 -14.626
  339    HA   GLU  47           HA       GLU  47   8.434  -4.053 -16.071
  340   1HB   GLU  47          2HB       GLU  47   8.474  -6.510 -16.869
  341   2HB   GLU  47          1HB       GLU  47   6.764  -6.276 -17.231
  342   1HG   GLU  47          2HG       GLU  47   7.202  -4.609 -18.835
  343   2HG   GLU  47          1HG       GLU  47   8.827  -4.313 -18.214
  344    H    THR  48           H        THR  48   5.296  -5.624 -15.494
  345    HA   THR  48           HA       THR  48   3.741  -3.668 -16.845
  346    HB   THR  48           HB       THR  48   2.814  -5.427 -14.567
  347    HG1  THR  48           HG1      THR  48   2.703  -7.044 -15.964
  348   1HG2  THR  48          1HG2      THR  48   1.464  -4.087 -16.920
  349   2HG2  THR  48          3HG2      THR  48   0.687  -5.333 -15.943
  350   3HG2  THR  48          2HG2      THR  48   1.164  -3.803 -15.205
  351    H    ALA  49           H        ALA  49   4.519  -4.165 -13.409
  352    HA   ALA  49           HA       ALA  49   3.069  -1.914 -12.459
  353   1HB   ALA  49          3HB       ALA  49   3.777  -3.763 -10.984
  354   2HB   ALA  49          2HB       ALA  49   5.460  -3.290 -11.211
  355   3HB   ALA  49          1HB       ALA  49   4.342  -2.204 -10.387
  356    H    ALA  50           H        ALA  50   6.230  -2.291 -13.879
  357    HA   ALA  50           HA       ALA  50   7.401   0.114 -12.922
  358   1HB   ALA  50          3HB       ALA  50   7.946  -1.705 -15.251
  359   2HB   ALA  50          2HB       ALA  50   8.790  -0.162 -15.112
  360   3HB   ALA  50          1HB       ALA  50   8.953  -1.373 -13.841
  361    H    ARG  51           H        ARG  51   5.757  -0.682 -15.981
  362    HA   ARG  51           HA       ARG  51   5.880   1.915 -17.091
  363   1HB   ARG  51          2HB       ARG  51   4.008  -0.407 -17.566
  364   2HB   ARG  51          1HB       ARG  51   3.893   1.104 -18.468
  365   1HG   ARG  51          2HG       ARG  51   6.336   0.825 -19.067
  366   2HG   ARG  51          1HG       ARG  51   6.254  -0.789 -18.358
  367   1HD   ARG  51          2HD       ARG  51   5.859  -1.073 -20.699
  368   2HD   ARG  51          1HD       ARG  51   4.295  -1.246 -19.910
  369    HE   ARG  51           HE       ARG  51   3.596   0.672 -21.018
  370   1HH1  ARG  51          2HH1      ARG  51   5.551   2.666 -20.152
  371   2HH1  ARG  51          1HH1      ARG  51   6.435   3.040 -21.594
  372   1HH2  ARG  51          1HH2      ARG  51   5.392   0.197 -23.285
  373   2HH2  ARG  51          2HH2      ARG  51   6.345   1.642 -23.368
  374    H    LEU  52           H        LEU  52   3.586   0.333 -14.953
  375    HA   LEU  52           HA       LEU  52   1.611   2.407 -15.047
  376   1HB   LEU  52          2HB       LEU  52   1.321  -0.058 -14.314
  377   2HB   LEU  52          1HB       LEU  52   1.936   0.490 -12.754
  378    HG   LEU  52           HG       LEU  52  -0.205   2.141 -13.997
  379   1HD1  LEU  52          2HD1      LEU  52  -0.749  -0.410 -14.241
  380   2HD1  LEU  52          1HD1      LEU  52  -0.985  -0.346 -12.494
  381   3HD1  LEU  52          3HD1      LEU  52  -1.969   0.663 -13.554
  382   1HD2  LEU  52          3HD2      LEU  52   1.082   2.162 -11.606
  383   2HD2  LEU  52          2HD2      LEU  52  -0.553   2.782 -11.824
  384   3HD2  LEU  52          1HD2      LEU  52  -0.304   1.153 -11.196
  385    H    GLU  53           H        GLU  53   4.586   1.968 -13.319
  386    HA   GLU  53           HA       GLU  53   4.047   3.552 -11.041
  387   1HB   GLU  53          2HB       GLU  53   6.091   2.022 -11.569
  388   2HB   GLU  53          1HB       GLU  53   6.758   3.466 -12.332
  389   1HG   GLU  53          2HG       GLU  53   6.845   4.651 -10.325
  390   2HG   GLU  53          1HG       GLU  53   5.594   3.662  -9.570
  391    H    SER  54           H        SER  54   4.990   4.331 -14.328
  392    HA   SER  54           HA       SER  54   5.816   6.993 -13.966
  393   1HB   SER  54          2HB       SER  54   5.915   5.526 -16.091
  394   2HB   SER  54          1HB       SER  54   4.270   6.086 -16.384
  395    HG   SER  54           HG       SER  54   6.688   7.505 -16.343
  396    H    ARG  55           H        ARG  55   2.638   5.552 -14.029
  397    HA   ARG  55           HA       ARG  55   1.038   7.763 -14.622
  398   1HB   ARG  55          2HB       ARG  55   0.266   5.378 -14.326
  399   2HB   ARG  55          1HB       ARG  55   0.362   5.635 -12.584
  400   1HG   ARG  55          2HG       ARG  55  -1.806   6.307 -12.827
  401   2HG   ARG  55          1HG       ARG  55  -1.067   7.830 -13.318
  402   1HD   ARG  55          2HD       ARG  55  -1.674   7.566 -15.491
  403   2HD   ARG  55          1HD       ARG  55  -1.293   5.848 -15.489
  404    HE   ARG  55           HE       ARG  55  -3.521   5.408 -14.985
  405   1HH1  ARG  55          1HH2      ARG  55  -3.812   7.167 -12.580
  406   2HH1  ARG  55          2HH2      ARG  55  -4.987   8.330 -13.101
  407   1HH2  ARG  55          2HH1      ARG  55  -4.603   7.602 -16.469
  408   2HH2  ARG  55          1HH1      ARG  55  -5.434   8.575 -15.303
  409    H    TYR  56           H        TYR  56   2.472   6.742 -11.550
  410    HA   TYR  56           HA       TYR  56   1.271   8.991 -10.131
  411   1HB   TYR  56          2HB       TYR  56   3.127   6.767  -9.259
  412   2HB   TYR  56          1HB       TYR  56   2.614   8.074  -8.192
  413    HD1  TYR  56           HD2      TYR  56   1.093   5.647 -10.628
  414    HD2  TYR  56           HD1      TYR  56   0.726   7.702  -6.871
  415    HE1  TYR  56           HE2      TYR  56  -1.031   4.449 -10.177
  416    HE2  TYR  56           HE1      TYR  56  -1.395   6.503  -6.425
  417    HH   TYR  56           HH       TYR  56  -3.192   5.058  -8.639
  418    H    GLY  57           H        GLY  57   4.616   7.778 -10.412
  419   1HA   GLY  57          2HA       GLY  57   6.577   8.918 -10.918
  420   2HA   GLY  57          1HA       GLY  57   5.620  10.366 -11.214
  421    H    VAL  58           H        VAL  58   5.421   8.494  -8.258
  422    HA   VAL  58           HA       VAL  58   6.132  10.837  -6.711
  423    HB   VAL  58           HB       VAL  58   4.235   9.374  -6.060
  424   1HG1  VAL  58          2HG1      VAL  58   5.322   7.216  -6.752
  425   2HG1  VAL  58          1HG1      VAL  58   6.374   7.349  -5.343
  426   3HG1  VAL  58          3HG1      VAL  58   4.633   7.171  -5.131
  427   1HG2  VAL  58          3HG2      VAL  58   5.557  10.766  -4.426
  428   2HG2  VAL  58          2HG2      VAL  58   4.730   9.384  -3.708
  429   3HG2  VAL  58          1HG2      VAL  58   6.464   9.309  -4.019
  430    H    SER  59           H        SER  59   7.387   7.569  -7.263
  431    HA   SER  59           HA       SER  59  10.067   8.480  -6.545
  432   1HB   SER  59          2HB       SER  59  10.321   6.406  -5.051
  433   2HB   SER  59          1HB       SER  59   9.437   7.775  -4.381
  434    HG   SER  59           HG       SER  59   7.973   6.277  -4.070
  435    H    ILE  60           H        ILE  60  11.539   6.339  -6.624
  436    HA   ILE  60           HA       ILE  60  10.686   4.681  -8.907
  437    HB   ILE  60           HB       ILE  60  13.402   6.006  -8.727
  438   1HG1  ILE  60          2HG1      ILE  60  11.088   6.640 -10.585
  439   2HG1  ILE  60          1HG1      ILE  60  11.518   7.610  -9.176
  440   1HG2  ILE  60          1HG2      ILE  60  12.025   4.244 -10.765
  441   2HG2  ILE  60          3HG2      ILE  60  13.443   5.217 -11.157
  442   3HG2  ILE  60          2HG2      ILE  60  13.553   3.948  -9.936
  443   1HD1  ILE  60          1HD1      ILE  60  13.924   7.560 -10.297
  444   2HD1  ILE  60          3HD1      ILE  60  12.986   7.268 -11.762
  445   3HD1  ILE  60          2HD1      ILE  60  12.711   8.731 -10.817
  446    HA   PRO  61           HA       PRO  61  12.732   2.134  -5.646
  447   1HB   PRO  61          2HB       PRO  61  10.757   0.258  -5.439
  448   2HB   PRO  61          1HB       PRO  61  10.778   1.770  -4.517
  449   1HG   PRO  61          2HG       PRO  61   9.081   0.994  -6.811
  450   2HG   PRO  61          1HG       PRO  61   8.774   2.174  -5.530
  451   1HD   PRO  61          2HD       PRO  61   9.617   2.731  -8.193
  452   2HD   PRO  61          1HD       PRO  61   9.509   3.887  -6.846
  453    H    ASP  62           H        ASP  62  14.265   0.785  -6.385
  454    HA   ASP  62           HA       ASP  62  13.720  -0.833  -8.785
  455   1HB   ASP  62          2HB       ASP  62  16.278   0.065  -7.459
  456   2HB   ASP  62          1HB       ASP  62  16.247  -1.159  -8.730
  457    H    ASP  63           H        ASP  63  15.065  -1.103  -5.504
  458    HA   ASP  63           HA       ASP  63  15.274  -3.991  -5.713
  459   1HB   ASP  63          2HB       ASP  63  16.852  -2.458  -4.396
  460   2HB   ASP  63          1HB       ASP  63  15.572  -2.381  -3.185
  461    H    VAL  64           H        VAL  64  13.480  -1.774  -3.552
  462    HA   VAL  64           HA       VAL  64  11.936  -3.741  -2.294
  463    HB   VAL  64           HB       VAL  64  12.143  -1.423  -1.471
  464   1HG1  VAL  64          3HG1      VAL  64  11.912  -0.375  -3.761
  465   2HG1  VAL  64          2HG1      VAL  64  10.179  -0.680  -3.647
  466   3HG1  VAL  64          1HG1      VAL  64  10.961   0.399  -2.493
  467   1HG2  VAL  64          2HG2      VAL  64   9.330  -2.405  -2.027
  468   2HG2  VAL  64          1HG2      VAL  64  10.309  -2.742  -0.599
  469   3HG2  VAL  64          3HG2      VAL  64   9.709  -1.109  -0.893
  470    H    ALA  65           H        ALA  65  11.219  -1.808  -5.186
  471    HA   ALA  65           HA       ALA  65   8.655  -3.103  -5.571
  472   1HB   ALA  65          3HB       ALA  65  10.195  -0.950  -6.923
  473   2HB   ALA  65          2HB       ALA  65   9.040  -1.844  -7.910
  474   3HB   ALA  65          1HB       ALA  65   8.496  -1.000  -6.460
  475    H    GLY  66           H        GLY  66  11.896  -3.283  -6.972
  476   1HA   GLY  66          2HA       GLY  66  11.350  -4.931  -9.173
  477   2HA   GLY  66          1HA       GLY  66  12.889  -4.866  -8.324
  478    H    ARG  67           H        ARG  67  11.522  -5.679  -5.771
  479    HA   ARG  67           HA       ARG  67  10.858  -8.477  -6.406
  480   1HB   ARG  67          2HB       ARG  67  13.349  -7.932  -5.605
  481   2HB   ARG  67          1HB       ARG  67  12.574  -7.981  -4.022
  482   1HG   ARG  67          2HG       ARG  67  11.919 -10.221  -4.265
  483   2HG   ARG  67          1HG       ARG  67  12.059 -10.169  -6.023
  484   1HD   ARG  67          2HD       ARG  67  13.950 -11.407  -5.245
  485   2HD   ARG  67          1HD       ARG  67  14.554  -9.817  -5.698
  486    HE   ARG  67           HE       ARG  67  14.904  -9.336  -3.411
  487   1HH1  ARG  67          1HH2      ARG  67  12.833 -10.237  -1.767
  488   2HH1  ARG  67          2HH2      ARG  67  13.347 -11.754  -1.107
  489   1HH2  ARG  67          2HH1      ARG  67  15.821 -12.251  -3.487
  490   2HH2  ARG  67          1HH1      ARG  67  15.040 -12.894  -2.082
  491    H    VAL  68           H        VAL  68   8.718  -7.397  -5.961
  492    HA   VAL  68           HA       VAL  68   8.225  -7.031  -3.083
  493    HB   VAL  68           HB       VAL  68   7.425  -5.249  -4.609
  494   1HG1  VAL  68          1HG1      VAL  68   6.761  -7.270  -6.325
  495   2HG1  VAL  68          3HG1      VAL  68   5.186  -6.880  -5.633
  496   3HG1  VAL  68          2HG1      VAL  68   6.130  -5.628  -6.438
  497   1HG2  VAL  68          2HG2      VAL  68   5.721  -6.820  -2.784
  498   2HG2  VAL  68          1HG2      VAL  68   6.059  -5.091  -2.801
  499   3HG2  VAL  68          3HG2      VAL  68   4.832  -5.760  -3.876
  500    H    ASP  69           H        ASP  69   7.769  -8.853  -2.058
  501    HA   ASP  69           HA       ASP  69   6.555 -11.110  -3.399
  502   1HB   ASP  69          2HB       ASP  69   7.542 -10.589  -0.607
  503   2HB   ASP  69          1HB       ASP  69   6.568 -12.016  -0.963
  504    H    THR  70           H        THR  70   5.606  -8.793  -0.878
  505    HA   THR  70           HA       THR  70   2.860  -9.853  -0.987
  506    HB   THR  70           HB       THR  70   2.474  -8.595   1.076
  507    HG1  THR  70           HG1      THR  70   5.198  -7.849   0.836
  508   1HG2  THR  70          2HG2      THR  70   3.469 -10.866   1.198
  509   2HG2  THR  70          1HG2      THR  70   5.077 -10.143   1.176
  510   3HG2  THR  70          3HG2      THR  70   3.993  -9.842   2.534
  511    HA   PRO  71           HA       PRO  71   1.600  -6.236  -3.230
  512   1HB   PRO  71          2HB       PRO  71  -1.086  -6.325  -2.747
  513   2HB   PRO  71          1HB       PRO  71  -0.252  -7.426  -3.856
  514   1HG   PRO  71          2HG       PRO  71  -1.322  -7.942  -1.145
  515   2HG   PRO  71          1HG       PRO  71  -1.101  -9.058  -2.496
  516   1HD   PRO  71          2HD       PRO  71   0.580  -8.819  -0.237
  517   2HD   PRO  71          1HD       PRO  71   0.956  -9.698  -1.738
  518    H    ARG  72           H        ARG  72   0.581  -6.622   0.111
  519    HA   ARG  72           HA       ARG  72  -0.489  -4.089   0.633
  520   1HB   ARG  72          2HB       ARG  72  -0.530  -6.055   2.196
  521   2HB   ARG  72          1HB       ARG  72   1.165  -5.732   2.559
  522   1HG   ARG  72          2HG       ARG  72   0.672  -3.621   3.525
  523   2HG   ARG  72          1HG       ARG  72  -0.951  -3.594   2.832
  524   1HD   ARG  72          2HD       ARG  72  -0.365  -5.910   4.580
  525   2HD   ARG  72          1HD       ARG  72  -0.405  -4.349   5.394
  526    HE   ARG  72           HE       ARG  72  -2.659  -5.743   4.213
  527   1HH1  ARG  72          1HH2      ARG  72  -3.604  -3.521   3.004
  528   2HH1  ARG  72          2HH2      ARG  72  -4.142  -2.413   4.222
  529   1HH2  ARG  72          2HH1      ARG  72  -2.379  -3.956   6.778
  530   2HH2  ARG  72          1HH1      ARG  72  -3.448  -2.659   6.360
  531    H    GLU  73           H        GLU  73   2.814  -5.101   0.183
  532    HA   GLU  73           HA       GLU  73   4.017  -2.801   1.418
  533   1HB   GLU  73          2HB       GLU  73   5.177  -5.016   1.069
  534   2HB   GLU  73          1HB       GLU  73   5.249  -4.630  -0.650
  535   1HG   GLU  73          2HG       GLU  73   7.280  -3.753   0.009
  536   2HG   GLU  73          1HG       GLU  73   6.258  -2.343   0.286
  537    H    LEU  74           H        LEU  74   3.092  -3.738  -1.859
  538    HA   LEU  74           HA       LEU  74   4.289  -1.587  -3.237
  539   1HB   LEU  74          2HB       LEU  74   2.649  -3.789  -3.901
  540   2HB   LEU  74          1HB       LEU  74   1.778  -2.364  -4.461
  541    HG   LEU  74           HG       LEU  74   4.106  -1.640  -5.422
  542   1HD1  LEU  74          1HD1      LEU  74   5.170  -3.655  -4.187
  543   2HD1  LEU  74          3HD1      LEU  74   4.494  -4.633  -5.490
  544   3HD1  LEU  74          2HD1      LEU  74   5.664  -3.365  -5.855
  545   1HD2  LEU  74          2HD2      LEU  74   2.120  -2.247  -6.776
  546   2HD2  LEU  74          1HD2      LEU  74   3.606  -2.849  -7.511
  547   3HD2  LEU  74          3HD2      LEU  74   2.549  -3.951  -6.630
  548    H    LEU  75           H        LEU  75   1.074  -1.965  -1.785
  549    HA   LEU  75           HA       LEU  75   0.019   0.540  -2.577
  550   1HB   LEU  75          2HB       LEU  75  -1.421  -1.250  -1.718
  551   2HB   LEU  75          1HB       LEU  75  -0.622  -1.170  -0.152
  552    HG   LEU  75           HG       LEU  75  -1.382   1.397  -0.312
  553   1HD1  LEU  75          2HD1      LEU  75  -2.416   0.709  -2.642
  554   2HD1  LEU  75          1HD1      LEU  75  -3.733   0.101  -1.638
  555   3HD1  LEU  75          3HD1      LEU  75  -3.287   1.807  -1.570
  556   1HD2  LEU  75          2HD2      LEU  75  -2.872  -1.061   0.559
  557   2HD2  LEU  75          1HD2      LEU  75  -2.101   0.181   1.548
  558   3HD2  LEU  75          3HD2      LEU  75  -3.626   0.525   0.731
  559    H    ASP  76           H        ASP  76   1.633  -0.492   0.426
  560    HA   ASP  76           HA       ASP  76   1.615   2.116   1.588
  561   1HB   ASP  76          2HB       ASP  76   1.956  -0.244   2.698
  562   2HB   ASP  76          1HB       ASP  76   3.658   0.070   2.355
  563    H    LEU  77           H        LEU  77   3.461   0.833  -0.958
  564    HA   LEU  77           HA       LEU  77   5.900   2.268  -0.379
  565   1HB   LEU  77          2HB       LEU  77   5.677   0.108  -1.764
  566   2HB   LEU  77          1HB       LEU  77   5.126   1.159  -3.069
  567    HG   LEU  77           HG       LEU  77   7.251   2.553  -2.578
  568   1HD1  LEU  77          1HD1      LEU  77   7.901  -0.062  -1.184
  569   2HD1  LEU  77          3HD1      LEU  77   9.108   1.141  -1.640
  570   3HD1  LEU  77          2HD1      LEU  77   7.864   1.545  -0.457
  571   1HD2  LEU  77          1HD2      LEU  77   7.225  -0.204  -3.817
  572   2HD2  LEU  77          3HD2      LEU  77   7.149   1.359  -4.629
  573   3HD2  LEU  77          2HD2      LEU  77   8.656   0.824  -3.884
  574    H    ILE  78           H        ILE  78   3.524   2.505  -3.047
  575    HA   ILE  78           HA       ILE  78   4.469   5.086  -3.859
  576    HB   ILE  78           HB       ILE  78   1.808   3.785  -4.498
  577   1HG1  ILE  78          2HG1      ILE  78   4.300   3.696  -6.200
  578   2HG1  ILE  78          1HG1      ILE  78   3.986   2.458  -4.983
  579   1HG2  ILE  78          1HG2      ILE  78   2.053   6.226  -5.020
  580   2HG2  ILE  78          3HG2      ILE  78   3.450   5.831  -6.024
  581   3HG2  ILE  78          2HG2      ILE  78   1.850   5.226  -6.459
  582   1HD1  ILE  78          1HD1      ILE  78   1.678   2.195  -6.066
  583   2HD1  ILE  78          3HD1      ILE  78   2.315   3.152  -7.404
  584   3HD1  ILE  78          2HD1      ILE  78   3.052   1.601  -6.999
  585    H    ASN  79           H        ASN  79   1.716   3.932  -1.997
  586    HA   ASN  79           HA       ASN  79   0.372   6.362  -1.613
  587   1HB   ASN  79          2HB       ASN  79  -0.521   4.085  -1.063
  588   2HB   ASN  79          1HB       ASN  79   0.539   4.061   0.344
  589   1HD2  ASN  79          2HD2      ASN  79  -2.796   5.358   1.409
  590   2HD2  ASN  79          1HD2      ASN  79  -2.248   3.914   0.704
  591    H    GLY  80           H        GLY  80   2.828   4.752   0.409
  592   1HA   GLY  80          2HA       GLY  80   2.910   6.747   2.425
  593   2HA   GLY  80          1HA       GLY  80   4.161   5.547   2.116
  594    H    ALA  81           H        ALA  81   4.521   6.389  -0.666
  595    HA   ALA  81           HA       ALA  81   6.529   8.371  -0.244
  596   1HB   ALA  81          3HB       ALA  81   6.448   6.535  -2.055
  597   2HB   ALA  81          2HB       ALA  81   5.408   7.649  -2.942
  598   3HB   ALA  81          1HB       ALA  81   7.055   8.123  -2.523
  599    H    LEU  82           H        LEU  82   3.190   8.465  -1.279
  600    HA   LEU  82           HA       LEU  82   3.329  11.171  -2.288
  601   1HB   LEU  82          2HB       LEU  82   1.190   9.130  -1.914
  602   2HB   LEU  82          1HB       LEU  82   0.703  10.823  -1.994
  603    HG   LEU  82           HG       LEU  82   2.520   9.531  -4.041
  604   1HD1  LEU  82          1HD1      LEU  82   0.146   8.548  -3.857
  605   2HD1  LEU  82          3HD1      LEU  82  -0.419  10.126  -4.407
  606   3HD1  LEU  82          2HD1      LEU  82   0.635   9.159  -5.437
  607   1HD2  LEU  82          1HD2      LEU  82   1.089  12.168  -3.756
  608   2HD2  LEU  82          3HD2      LEU  82   2.780  11.869  -4.155
  609   3HD2  LEU  82          2HD2      LEU  82   1.523  11.554  -5.351
  610    H    ALA  83           H        ALA  83   2.483   9.577   0.720
  611    HA   ALA  83           HA       ALA  83   1.165  11.713   2.001
  612   1HB   ALA  83          2HB       ALA  83   1.426   9.248   2.759
  613   2HB   ALA  83          1HB       ALA  83   2.942   9.790   3.480
  614   3HB   ALA  83          3HB       ALA  83   1.414  10.506   3.995
  615    H    GLU  84           H        GLU  84   4.587  10.723   2.111
  616    HA   GLU  84           HA       GLU  84   5.494  12.801   3.770
  617   1HB   GLU  84          2HB       GLU  84   6.647  10.610   2.530
  618   2HB   GLU  84          1HB       GLU  84   7.429  11.970   1.726
  619   1HG   GLU  84          2HG       GLU  84   8.814  11.872   3.545
  620   2HG   GLU  84          1HG       GLU  84   7.537  12.833   4.289
  621    H    ALA  85           H        ALA  85   4.818  12.690   0.340
  622    HA   ALA  85           HA       ALA  85   5.974  15.362  -0.054
  623   1HB   ALA  85          3HB       ALA  85   5.110  13.150  -1.873
  624   2HB   ALA  85          2HB       ALA  85   5.098  14.803  -2.486
  625   3HB   ALA  85          1HB       ALA  85   6.598  14.097  -1.887
  626    H    ALA  86           HN       ALA  86   3.758  15.280   1.634
  627    HA   ALA  86           HA       ALA  86   1.938  17.012   0.172
  628   1HB   ALA  86          2HB       ALA  86   1.116  14.562  -0.037
  629   2HB   ALA  86          1HB       ALA  86   0.708  14.711   1.673
  630   3HB   ALA  86          3HB       ALA  86  -0.039  15.787   0.490
   
  No H/Q in entry =         630
  Start of MODEL   21
    1   1H    MET   1          1H        MET   1  -8.633  18.633  -0.860
    2   2H    MET   1          3H        MET   1  -7.313  19.468  -1.521
    3   3H    MET   1          2H        MET   1  -8.836  19.560  -2.269
    4    HA   MET   1           HA       MET   1  -8.757  17.273  -2.903
    5   1HB   MET   1          2HB       MET   1  -7.417  19.151  -4.150
    6   2HB   MET   1          1HB       MET   1  -6.002  18.302  -3.527
    7   1HG   MET   1          2HG       MET   1  -8.153  16.699  -4.857
    8   2HG   MET   1          1HG       MET   1  -7.051  17.633  -5.869
    9   1HE   MET   1          1HE       MET   1  -4.663  17.607  -5.812
   10   2HE   MET   1          3HE       MET   1  -3.761  16.087  -5.754
   11   3HE   MET   1          2HE       MET   1  -5.075  16.294  -6.910
   12    H    ALA   2           H        ALA   2  -8.689  15.999  -0.959
   13    HA   ALA   2           HA       ALA   2  -5.970  15.020  -0.312
   14   1HB   ALA   2          2HB       ALA   2  -7.319  16.304   1.516
   15   2HB   ALA   2          1HB       ALA   2  -8.256  14.815   1.625
   16   3HB   ALA   2          3HB       ALA   2  -6.522  14.791   1.944
   17    H    THR   3           H        THR   3  -5.835  13.204  -1.503
   18    HA   THR   3           HA       THR   3  -7.703  11.040  -0.866
   19    HB   THR   3           HB       THR   3  -7.000  11.419  -3.751
   20    HG1  THR   3           HG1      THR   3  -8.463  12.925  -4.010
   21   1HG2  THR   3          2HG2      THR   3  -9.061  10.003  -2.099
   22   2HG2  THR   3          1HG2      THR   3  -9.443  10.427  -3.767
   23   3HG2  THR   3          3HG2      THR   3  -8.067   9.381  -3.417
   24    H    LEU   4           H        LEU   4  -6.354   9.572  -0.065
   25    HA   LEU   4           HA       LEU   4  -3.685   9.237  -1.250
   26   1HB   LEU   4          2HB       LEU   4  -4.893   8.064   1.269
   27   2HB   LEU   4          1HB       LEU   4  -3.232   7.822   0.728
   28    HG   LEU   4           HG       LEU   4  -3.265  10.491   0.642
   29   1HD1  LEU   4          3HD1      LEU   4  -5.368   9.724   2.685
   30   2HD1  LEU   4          2HD1      LEU   4  -4.560  11.292   2.663
   31   3HD1  LEU   4          1HD1      LEU   4  -5.566  10.800   1.301
   32   1HD2  LEU   4          2HD2      LEU   4  -2.870   8.670   3.023
   33   2HD2  LEU   4          1HD2      LEU   4  -1.642   9.352   1.957
   34   3HD2  LEU   4          3HD2      LEU   4  -2.495  10.392   3.098
   35    H    LEU   5           H        LEU   5  -3.036   6.710  -0.901
   36    HA   LEU   5           HA       LEU   5  -4.762   5.297  -2.790
   37   1HB   LEU   5          2HB       LEU   5  -2.048   5.432  -2.585
   38   2HB   LEU   5          1HB       LEU   5  -2.366   3.930  -1.715
   39    HG   LEU   5           HG       LEU   5  -3.772   3.188  -3.673
   40   1HD1  LEU   5          2HD1      LEU   5  -2.661   5.770  -4.781
   41   2HD1  LEU   5          1HD1      LEU   5  -3.189   4.459  -5.834
   42   3HD1  LEU   5          3HD1      LEU   5  -4.341   5.231  -4.745
   43   1HD2  LEU   5          1HD2      LEU   5  -1.153   2.864  -3.269
   44   2HD2  LEU   5          3HD2      LEU   5  -1.927   2.289  -4.745
   45   3HD2  LEU   5          2HD2      LEU   5  -1.053   3.819  -4.747
   46    H    THR   6           H        THR   6  -5.863   3.423  -2.337
   47    HA   THR   6           HA       THR   6  -5.757   2.455   0.455
   48    HB   THR   6           HB       THR   6  -7.758   3.819   0.256
   49    HG1  THR   6           HG1      THR   6  -9.049   2.326   1.069
   50   1HG2  THR   6          1HG2      THR   6  -7.850   3.584  -2.276
   51   2HG2  THR   6          3HG2      THR   6  -8.621   2.020  -2.016
   52   3HG2  THR   6          2HG2      THR   6  -9.403   3.495  -1.448
   53    H    THR   7           H        THR   7  -6.819   0.295   0.689
   54    HA   THR   7           HA       THR   7  -5.587  -1.665  -0.834
   55    HB   THR   7           HB       THR   7  -8.237  -1.941   0.604
   56    HG1  THR   7           HG1      THR   7  -5.605  -2.340   1.571
   57   1HG2  THR   7          1HG2      THR   7  -6.954  -3.778  -0.977
   58   2HG2  THR   7          3HG2      THR   7  -6.270  -4.134   0.609
   59   3HG2  THR   7          2HG2      THR   7  -8.017  -4.187   0.369
   60    H    ASP   8           H        ASP   8  -8.780  -0.209  -1.252
   61    HA   ASP   8           HA       ASP   8  -9.811  -1.879  -3.249
   62   1HB   ASP   8          2HB       ASP   8 -10.207   1.105  -2.907
   63   2HB   ASP   8          1HB       ASP   8 -11.211   0.052  -3.905
   64    H    ASP   9           H        ASP   9  -7.767   1.010  -3.513
   65    HA   ASP   9           HA       ASP   9  -7.660   1.074  -6.351
   66   1HB   ASP   9          2HB       ASP   9  -6.885   2.842  -4.540
   67   2HB   ASP   9          1HB       ASP   9  -5.342   2.007  -4.707
   68    H    LEU  10           H        LEU  10  -5.915  -0.698  -3.894
   69    HA   LEU  10           HA       LEU  10  -3.662  -1.552  -5.316
   70   1HB   LEU  10          2HB       LEU  10  -4.481  -1.945  -2.815
   71   2HB   LEU  10          1HB       LEU  10  -5.061  -3.464  -3.495
   72    HG   LEU  10           HG       LEU  10  -2.211  -2.431  -3.681
   73   1HD1  LEU  10          2HD1      LEU  10  -3.191  -3.306  -1.423
   74   2HD1  LEU  10          1HD1      LEU  10  -3.144  -4.885  -2.207
   75   3HD1  LEU  10          3HD1      LEU  10  -1.655  -3.966  -1.989
   76   1HD2  LEU  10          3HD2      LEU  10  -3.559  -4.978  -4.624
   77   2HD2  LEU  10          2HD2      LEU  10  -2.705  -3.790  -5.612
   78   3HD2  LEU  10          1HD2      LEU  10  -1.808  -4.806  -4.483
   79    H    ARG  11           H        ARG  11  -6.751  -3.260  -4.852
   80    HA   ARG  11           HA       ARG  11  -6.211  -5.402  -6.594
   81   1HB   ARG  11          2HB       ARG  11  -8.168  -4.937  -4.841
   82   2HB   ARG  11          1HB       ARG  11  -9.017  -4.452  -6.309
   83   1HG   ARG  11          2HG       ARG  11  -7.921  -6.733  -7.210
   84   2HG   ARG  11          1HG       ARG  11  -8.023  -7.140  -5.497
   85   1HD   ARG  11          2HD       ARG  11 -10.062  -7.799  -6.774
   86   2HD   ARG  11          1HD       ARG  11 -10.404  -6.667  -5.472
   87    HE   ARG  11           HE       ARG  11  -9.941  -5.322  -7.966
   88   1HH1  ARG  11          2HH1      ARG  11 -11.973  -4.167  -6.312
   89   2HH1  ARG  11          1HH1      ARG  11 -13.472  -4.737  -6.969
   90   1HH2  ARG  11          1HH2      ARG  11 -12.012  -7.339  -8.736
   91   2HH2  ARG  11          2HH2      ARG  11 -13.493  -6.533  -8.341
   92    H    ARG  12           H        ARG  12  -8.325  -2.586  -7.169
   93    HA   ARG  12           HA       ARG  12  -8.926  -3.054  -9.832
   94   1HB   ARG  12          2HB       ARG  12  -9.636  -1.138  -8.107
   95   2HB   ARG  12          1HB       ARG  12  -8.455  -0.227  -9.048
   96   1HG   ARG  12          2HG       ARG  12  -9.654  -0.496 -11.053
   97   2HG   ARG  12          1HG       ARG  12 -10.568  -1.870 -10.429
   98   1HD   ARG  12          2HD       ARG  12 -11.875  -0.468  -8.999
   99   2HD   ARG  12          1HD       ARG  12 -10.817   0.912  -9.275
  100    HE   ARG  12           HE       ARG  12 -11.720   1.054 -11.530
  101   1HH1  ARG  12          2HH1      ARG  12 -13.839   0.361  -9.100
  102   2HH1  ARG  12          1HH1      ARG  12 -15.079  -0.341 -10.086
  103   1HH2  ARG  12          1HH2      ARG  12 -13.100  -0.499 -12.929
  104   2HH2  ARG  12          2HH2      ARG  12 -14.662  -0.827 -12.253
  105    H    ALA  13           H        ALA  13  -5.924  -1.945  -8.484
  106    HA   ALA  13           HA       ALA  13  -4.932  -0.808 -10.949
  107   1HB   ALA  13          3HB       ALA  13  -3.680  -1.438  -8.282
  108   2HB   ALA  13          2HB       ALA  13  -2.713  -0.902  -9.655
  109   3HB   ALA  13          1HB       ALA  13  -3.979   0.141  -9.009
  110    H    LEU  14           H        LEU  14  -4.566  -3.842  -9.177
  111    HA   LEU  14           HA       LEU  14  -2.587  -4.923 -10.951
  112   1HB   LEU  14          2HB       LEU  14  -4.183  -5.931  -8.649
  113   2HB   LEU  14          1HB       LEU  14  -3.502  -7.124  -9.757
  114    HG   LEU  14           HG       LEU  14  -1.764  -4.889  -8.756
  115   1HD1  LEU  14          1HD1      LEU  14  -3.034  -6.159  -6.850
  116   2HD1  LEU  14          3HD1      LEU  14  -1.958  -7.493  -7.263
  117   3HD1  LEU  14          2HD1      LEU  14  -1.287  -5.954  -6.725
  118   1HD2  LEU  14          2HD2      LEU  14  -1.270  -6.776 -10.558
  119   2HD2  LEU  14          1HD2      LEU  14  -0.027  -6.287  -9.407
  120   3HD2  LEU  14          3HD2      LEU  14  -0.963  -7.754  -9.123
  121    H    VAL  15           H        VAL  15  -6.044  -4.717 -11.042
  122    HA   VAL  15           HA       VAL  15  -6.320  -6.947 -12.901
  123    HB   VAL  15           HB       VAL  15  -8.402  -4.917 -12.055
  124   1HG1  VAL  15          2HG1      VAL  15  -8.474  -7.585 -13.472
  125   2HG1  VAL  15          1HG1      VAL  15  -9.896  -6.925 -12.665
  126   3HG1  VAL  15          3HG1      VAL  15  -9.156  -6.047 -14.003
  127   1HG2  VAL  15          3HG2      VAL  15  -7.244  -7.284 -10.695
  128   2HG2  VAL  15          2HG2      VAL  15  -8.093  -5.896 -10.013
  129   3HG2  VAL  15          1HG2      VAL  15  -9.007  -7.225 -10.726
  130    H    GLU  16           H        GLU  16  -6.794  -3.420 -12.938
  131    HA   GLU  16           HA       GLU  16  -7.451  -3.168 -15.658
  132   1HB   GLU  16          2HB       GLU  16  -6.209  -1.267 -13.675
  133   2HB   GLU  16          1HB       GLU  16  -6.506  -0.794 -15.349
  134   1HG   GLU  16          2HG       GLU  16  -8.913  -1.739 -14.906
  135   2HG   GLU  16          1HG       GLU  16  -8.489  -1.513 -13.208
  136    H    CYS  17           H        CYS  17  -4.366  -3.487 -14.035
  137    HA   CYS  17           HA       CYS  17  -2.857  -2.841 -16.445
  138   1HB   CYS  17          2HB       CYS  17  -2.026  -3.716 -13.674
  139   2HB   CYS  17          1HB       CYS  17  -0.883  -3.469 -14.994
  140    HG   CYS  17           HG       CYS  17  -1.607  -1.266 -13.348
  141    H    ALA  18           H        ALA  18  -4.041  -5.651 -14.754
  142    HA   ALA  18           HA       ALA  18  -2.359  -7.444 -16.359
  143   1HB   ALA  18          1HB       ALA  18  -2.598  -7.920 -13.948
  144   2HB   ALA  18          3HB       ALA  18  -4.341  -8.084 -14.163
  145   3HB   ALA  18          2HB       ALA  18  -3.246  -9.228 -14.938
  146    H    GLY  19           H        GLY  19  -4.199  -5.970 -17.837
  147   1HA   GLY  19          2HA       GLY  19  -5.637  -6.371 -19.606
  148   2HA   GLY  19          1HA       GLY  19  -5.625  -8.076 -19.167
  149    H    GLU  20           H        GLU  20  -7.590  -8.798 -18.727
  150    HA   GLU  20           HA       GLU  20  -9.374  -7.139 -17.063
  151   1HB   GLU  20          2HB       GLU  20 -11.295  -7.880 -18.457
  152   2HB   GLU  20          1HB       GLU  20 -10.152  -6.866 -19.336
  153   1HG   GLU  20          2HG       GLU  20  -9.068  -8.935 -20.229
  154   2HG   GLU  20          1HG       GLU  20 -10.327  -9.889 -19.445
  155    H    THR  21           H        THR  21  -7.867  -9.013 -15.947
  156    HA   THR  21           HA       THR  21  -9.693 -10.716 -14.669
  157    HB   THR  21           HB       THR  21  -9.816 -12.082 -16.623
  158    HG1  THR  21           HG1      THR  21  -8.663 -13.972 -15.875
  159   1HG2  THR  21          3HG2      THR  21  -7.753 -11.094 -17.688
  160   2HG2  THR  21          2HG2      THR  21  -6.791 -12.164 -16.671
  161   3HG2  THR  21          1HG2      THR  21  -7.895 -12.842 -17.868
  162    H    ASP  22           H        ASP  22  -8.852 -10.854 -12.739
  163    HA   ASP  22           HA       ASP  22  -5.967 -10.630 -12.360
  164   1HB   ASP  22          2HB       ASP  22  -6.563 -10.487  -9.946
  165   2HB   ASP  22          1HB       ASP  22  -7.366  -9.263 -10.927
  166    H    GLY  23           H        GLY  23  -8.256 -13.137 -12.673
  167   1HA   GLY  23          2HA       GLY  23  -8.162 -15.404 -12.285
  168   2HA   GLY  23          1HA       GLY  23  -6.412 -15.207 -12.284
  169    H    THR  24           H        THR  24  -9.146 -14.366 -10.143
  170    HA   THR  24           HA       THR  24  -8.154 -15.951  -7.983
  171    HB   THR  24           HB       THR  24  -8.060 -12.947  -7.615
  172    HG1  THR  24           HG1      THR  24  -5.760 -13.432  -7.410
  173   1HG2  THR  24          2HG2      THR  24  -8.630 -14.412  -5.639
  174   2HG2  THR  24          1HG2      THR  24  -7.056 -15.181  -5.837
  175   3HG2  THR  24          3HG2      THR  24  -7.155 -13.465  -5.443
  176    H    ASP  25           H        ASP  25  -9.665 -16.169  -6.389
  177    HA   ASP  25           HA       ASP  25 -12.356 -15.278  -7.063
  178   1HB   ASP  25          2HB       ASP  25 -11.482 -17.658  -6.147
  179   2HB   ASP  25          1HB       ASP  25 -11.881 -16.885  -4.613
  180    H    LEU  26           H        LEU  26 -11.983 -13.079  -6.588
  181    HA   LEU  26           HA       LEU  26 -11.095 -11.944  -4.225
  182   1HB   LEU  26          2HB       LEU  26 -13.037 -11.040  -6.326
  183   2HB   LEU  26          1HB       LEU  26 -12.812 -10.074  -4.870
  184    HG   LEU  26           HG       LEU  26 -11.323  -9.315  -6.685
  185   1HD1  LEU  26          1HD1      LEU  26 -10.662  -9.466  -4.143
  186   2HD1  LEU  26          3HD1      LEU  26  -9.518 -10.681  -4.713
  187   3HD1  LEU  26          2HD1      LEU  26  -9.440  -9.035  -5.339
  188   1HD2  LEU  26          2HD2      LEU  26 -11.126 -11.615  -7.737
  189   2HD2  LEU  26          1HD2      LEU  26  -9.605 -10.732  -7.602
  190   3HD2  LEU  26          3HD2      LEU  26  -9.980 -12.022  -6.459
  191    H    SER  27           H        SER  27 -11.793 -13.117  -2.468
  192    HA   SER  27           HA       SER  27 -14.631 -12.706  -1.728
  193   1HB   SER  27          2HB       SER  27 -14.223 -15.087  -2.102
  194   2HB   SER  27          1HB       SER  27 -12.835 -15.041  -1.020
  195    HG   SER  27           HG       SER  27 -14.472 -15.690   0.255
  196    H    GLY  28           H        GLY  28 -12.408 -10.930  -1.260
  197   1HA   GLY  28          2HA       GLY  28 -12.078  -9.490   0.593
  198   2HA   GLY  28          1HA       GLY  28 -12.572 -10.797   1.667
  199    H    ASP  29           H        ASP  29 -10.244  -9.169   1.973
  200    HA   ASP  29           HA       ASP  29  -8.075  -9.429   2.668
  201   1HB   ASP  29          2HB       ASP  29  -9.067 -12.160   2.614
  202   2HB   ASP  29          1HB       ASP  29  -7.365 -12.103   2.161
  203    H    PHE  30           H        PHE  30  -7.916 -12.019   0.247
  204    HA   PHE  30           HA       PHE  30  -6.492 -12.286  -1.534
  205   1HB   PHE  30          2HB       PHE  30  -6.896 -10.759  -3.367
  206   2HB   PHE  30          1HB       PHE  30  -8.404 -11.085  -2.527
  207    HD1  PHE  30           HD1      PHE  30  -5.817  -8.549  -3.228
  208    HD2  PHE  30           HD2      PHE  30  -9.518  -9.353  -1.198
  209    HE1  PHE  30           HE1      PHE  30  -6.155  -6.121  -2.892
  210    HE2  PHE  30           HE2      PHE  30  -9.856  -6.921  -0.861
  211    HZ   PHE  30           HZ       PHE  30  -8.177  -5.305  -1.708
  212    H    LEU  31           H        LEU  31  -5.270 -11.003   0.822
  213    HA   LEU  31           HA       LEU  31  -2.997  -9.775  -0.594
  214   1HB   LEU  31          2HB       LEU  31  -4.322  -8.747   1.916
  215   2HB   LEU  31          1HB       LEU  31  -2.722  -8.233   1.378
  216    HG   LEU  31           HG       LEU  31  -4.908  -8.166  -0.644
  217   1HD1  LEU  31          3HD1      LEU  31  -5.541  -7.122   1.778
  218   2HD1  LEU  31          2HD1      LEU  31  -4.714  -5.745   1.049
  219   3HD1  LEU  31          1HD1      LEU  31  -6.116  -6.458   0.249
  220   1HD2  LEU  31          3HD2      LEU  31  -2.252  -7.150  -0.309
  221   2HD2  LEU  31          2HD2      LEU  31  -3.310  -6.992  -1.709
  222   3HD2  LEU  31          1HD2      LEU  31  -3.343  -5.772  -0.438
  223    H    ASP  32           H        ASP  32  -3.686 -12.471   0.723
  224    HA   ASP  32           HA       ASP  32  -1.489 -12.572   2.689
  225   1HB   ASP  32          2HB       ASP  32  -3.759 -14.481   2.084
  226   2HB   ASP  32          1HB       ASP  32  -2.413 -14.887   3.149
  227    H    LEU  33           H        LEU  33  -2.701 -13.872  -0.327
  228    HA   LEU  33           HA       LEU  33  -0.007 -14.705  -1.082
  229   1HB   LEU  33          2HB       LEU  33  -2.360 -16.578  -0.850
  230   2HB   LEU  33          1HB       LEU  33  -1.049 -16.891  -1.986
  231    HG   LEU  33           HG       LEU  33  -0.590 -16.365   0.959
  232   1HD1  LEU  33          1HD1      LEU  33  -1.951 -18.415   0.633
  233   2HD1  LEU  33          3HD1      LEU  33  -0.742 -19.022  -0.496
  234   3HD1  LEU  33          2HD1      LEU  33  -0.325 -18.794   1.202
  235   1HD2  LEU  33          2HD2      LEU  33   1.096 -17.314  -1.362
  236   2HD2  LEU  33          1HD2      LEU  33   1.402 -15.964  -0.270
  237   3HD2  LEU  33          3HD2      LEU  33   1.571 -17.621   0.308
  238    H    ARG  34           H        ARG  34  -0.739 -12.607  -2.198
  239    HA   ARG  34           HA       ARG  34  -2.468 -13.111  -4.517
  240   1HB   ARG  34          2HB       ARG  34  -2.830 -11.058  -3.154
  241   2HB   ARG  34          1HB       ARG  34  -1.215 -10.508  -3.597
  242   1HG   ARG  34          2HG       ARG  34  -2.600  -9.447  -5.180
  243   2HG   ARG  34          1HG       ARG  34  -2.009 -10.863  -6.049
  244   1HD   ARG  34          2HD       ARG  34  -4.055 -12.078  -5.565
  245   2HD   ARG  34          1HD       ARG  34  -4.634 -10.768  -4.543
  246    HE   ARG  34           HE       ARG  34  -5.446  -9.803  -6.477
  247   1HH1  ARG  34          2HH1      ARG  34  -2.533  -9.405  -7.459
  248   2HH1  ARG  34          1HH1      ARG  34  -2.627 -10.107  -9.040
  249   1HH2  ARG  34          1HH2      ARG  34  -5.633 -11.725  -8.430
  250   2HH2  ARG  34          2HH2      ARG  34  -4.382 -11.420  -9.589
  251    H    PHE  35           H        PHE  35   0.683 -11.518  -3.922
  252    HA   PHE  35           HA       PHE  35   1.499 -11.559  -6.627
  253   1HB   PHE  35          2HB       PHE  35   2.888 -11.162  -4.010
  254   2HB   PHE  35          1HB       PHE  35   3.873 -11.478  -5.435
  255    HD1  PHE  35           HD1      PHE  35   0.615  -9.640  -5.275
  256    HD2  PHE  35           HD2      PHE  35   4.869  -9.352  -5.866
  257    HE1  PHE  35           HE1      PHE  35   0.368  -7.272  -5.963
  258    HE2  PHE  35           HE2      PHE  35   4.604  -6.989  -6.553
  259    HZ   PHE  35           HZ       PHE  35   2.368  -5.954  -6.599
  260    H    GLU  36           H        GLU  36   2.584 -13.614  -3.917
  261    HA   GLU  36           HA       GLU  36   3.733 -15.538  -5.773
  262   1HB   GLU  36          2HB       GLU  36   3.567 -15.479  -2.751
  263   2HB   GLU  36          1HB       GLU  36   4.354 -16.761  -3.674
  264   1HG   GLU  36          2HG       GLU  36   5.109 -13.914  -4.230
  265   2HG   GLU  36          1HG       GLU  36   5.759 -14.701  -2.792
  266    H    ASP  37           H        ASP  37   1.613 -15.972  -6.774
  267    HA   ASP  37           HA       ASP  37   0.435 -18.346  -5.606
  268   1HB   ASP  37          2HB       ASP  37  -0.837 -16.456  -4.546
  269   2HB   ASP  37          1HB       ASP  37  -1.370 -15.985  -6.159
  270    H    ILE  38           H        ILE  38  -0.544 -15.860  -7.974
  271    HA   ILE  38           HA       ILE  38  -1.196 -17.906  -9.916
  272    HB   ILE  38           HB       ILE  38  -1.978 -16.102 -11.317
  273   1HG1  ILE  38          2HG1      ILE  38  -0.778 -14.180  -9.292
  274   2HG1  ILE  38          1HG1      ILE  38  -0.049 -14.545 -10.856
  275   1HG2  ILE  38          2HG2      ILE  38  -3.031 -16.727  -8.897
  276   2HG2  ILE  38          1HG2      ILE  38  -2.774 -14.994  -8.681
  277   3HG2  ILE  38          3HG2      ILE  38  -3.777 -15.580 -10.010
  278   1HD1  ILE  38          1HD1      ILE  38  -2.831 -13.902 -11.248
  279   2HD1  ILE  38          3HD1      ILE  38  -2.067 -12.628 -10.298
  280   3HD1  ILE  38          2HD1      ILE  38  -1.409 -13.068 -11.871
  281    H    GLY  39           H        GLY  39   1.524 -15.888  -9.189
  282   1HA   GLY  39          2HA       GLY  39   3.538 -17.034 -10.411
  283   2HA   GLY  39          1HA       GLY  39   2.731 -16.364 -11.823
  284    H    TYR  40           H        TYR  40   1.915 -14.070  -9.792
  285    HA   TYR  40           HA       TYR  40   3.773 -12.167 -10.674
  286   1HB   TYR  40          2HB       TYR  40   1.730 -12.226  -8.482
  287   2HB   TYR  40          1HB       TYR  40   2.870 -10.884  -8.568
  288    HD1  TYR  40           HD2      TYR  40   3.194  -9.858 -11.002
  289    HD2  TYR  40           HD1      TYR  40  -0.255 -12.071  -9.697
  290    HE1  TYR  40           HE2      TYR  40   1.846  -8.823 -12.808
  291    HE2  TYR  40           HE1      TYR  40  -1.601 -11.028 -11.504
  292    HH   TYR  40           HH       TYR  40  -0.245  -9.408 -14.105
  293    H    ASP  41           H        ASP  41   5.884 -12.883 -10.303
  294    HA   ASP  41           HA       ASP  41   6.715 -13.231  -7.502
  295   1HB   ASP  41          2HB       ASP  41   8.881 -13.969  -8.483
  296   2HB   ASP  41          1HB       ASP  41   7.520 -14.944  -9.030
  297    H    SER  42           H        SER  42   7.388 -11.333 -10.398
  298    HA   SER  42           HA       SER  42   7.781  -8.889  -9.142
  299   1HB   SER  42          2HB       SER  42   9.736  -9.692  -8.017
  300   2HB   SER  42          1HB       SER  42  10.345 -10.461  -9.480
  301    HG   SER  42           HG       SER  42   9.879  -7.672  -9.223
  302    H    LEU  43           H        LEU  43   8.999 -11.017 -11.690
  303    HA   LEU  43           HA       LEU  43   9.633  -8.992 -13.567
  304   1HB   LEU  43          2HB       LEU  43   9.111 -11.936 -13.731
  305   2HB   LEU  43          1HB       LEU  43   9.176 -10.991 -15.220
  306    HG   LEU  43           HG       LEU  43  11.384 -10.025 -14.273
  307   1HD1  LEU  43          1HD1      LEU  43  11.019 -12.501 -12.560
  308   2HD1  LEU  43          3HD1      LEU  43  12.549 -11.645 -12.749
  309   3HD1  LEU  43          2HD1      LEU  43  11.175 -10.839 -11.992
  310   1HD2  LEU  43          3HD2      LEU  43  11.198 -12.947 -15.078
  311   2HD2  LEU  43          2HD2      LEU  43  11.267 -11.577 -16.186
  312   3HD2  LEU  43          1HD2      LEU  43  12.655 -11.956 -15.165
  313    H    ALA  44           H        ALA  44   6.695 -10.890 -12.990
  314    HA   ALA  44           HA       ALA  44   5.200  -9.996 -15.200
  315   1HB   ALA  44          3HB       ALA  44   4.243 -10.813 -12.446
  316   2HB   ALA  44          2HB       ALA  44   3.210 -10.632 -13.864
  317   3HB   ALA  44          1HB       ALA  44   4.457 -11.879 -13.835
  318    H    LEU  45           H        LEU  45   5.071  -8.859 -11.825
  319    HA   LEU  45           HA       LEU  45   3.510  -6.546 -12.494
  320   1HB   LEU  45          2HB       LEU  45   3.965  -5.873 -10.135
  321   2HB   LEU  45          1HB       LEU  45   3.283  -7.486 -10.300
  322    HG   LEU  45           HG       LEU  45   6.071  -7.864 -10.455
  323   1HD1  LEU  45          3HD1      LEU  45   5.507  -5.456  -8.981
  324   2HD1  LEU  45          2HD1      LEU  45   6.076  -6.693  -7.862
  325   3HD1  LEU  45          1HD1      LEU  45   7.060  -6.243  -9.253
  326   1HD2  LEU  45          1HD2      LEU  45   3.839  -8.473  -8.597
  327   2HD2  LEU  45          3HD2      LEU  45   5.040  -9.552  -9.303
  328   3HD2  LEU  45          2HD2      LEU  45   5.452  -8.575  -7.893
  329    H    MET  46           H        MET  46   6.770  -7.211 -12.950
  330    HA   MET  46           HA       MET  46   8.067  -4.847 -12.196
  331   1HB   MET  46          2HB       MET  46   8.853  -7.159 -13.437
  332   2HB   MET  46          1HB       MET  46   8.957  -6.005 -14.763
  333   1HG   MET  46          2HG       MET  46  10.480  -4.616 -13.573
  334   2HG   MET  46          1HG       MET  46  10.147  -5.430 -12.044
  335   1HE   MET  46          3HE       MET  46  12.585  -5.458 -11.670
  336   2HE   MET  46          2HE       MET  46  11.921  -6.980 -11.079
  337   3HE   MET  46          1HE       MET  46  13.453  -6.973 -11.947
  338    H    GLU  47           H        GLU  47   6.688  -5.718 -15.368
  339    HA   GLU  47           HA       GLU  47   7.098  -3.163 -16.539
  340   1HB   GLU  47          2HB       GLU  47   5.447  -5.564 -17.241
  341   2HB   GLU  47          1HB       GLU  47   5.201  -4.052 -18.117
  342   1HG   GLU  47          2HG       GLU  47   6.874  -4.973 -19.418
  343   2HG   GLU  47          1HG       GLU  47   7.865  -4.114 -18.238
  344    H    THR  48           H        THR  48   4.569  -4.500 -14.536
  345    HA   THR  48           HA       THR  48   2.454  -2.760 -15.136
  346    HB   THR  48           HB       THR  48   3.104  -3.833 -12.384
  347    HG1  THR  48           HG1      THR  48   1.725  -5.059 -14.538
  348   1HG2  THR  48          1HG2      THR  48   0.736  -2.643 -13.741
  349   2HG2  THR  48          3HG2      THR  48   0.437  -3.992 -12.644
  350   3HG2  THR  48          2HG2      THR  48   1.239  -2.536 -12.054
  351    H    ALA  49           H        ALA  49   5.062  -2.444 -12.740
  352    HA   ALA  49           HA       ALA  49   4.193   0.166 -11.878
  353   1HB   ALA  49          3HB       ALA  49   5.503  -1.484 -10.463
  354   2HB   ALA  49          2HB       ALA  49   6.914  -1.074 -11.439
  355   3HB   ALA  49          1HB       ALA  49   6.121   0.167 -10.469
  356    H    ALA  50           H        ALA  50   6.443  -1.112 -14.235
  357    HA   ALA  50           HA       ALA  50   7.999   1.187 -14.695
  358   1HB   ALA  50          2HB       ALA  50   8.579  -1.025 -15.612
  359   2HB   ALA  50          1HB       ALA  50   7.176  -0.947 -16.679
  360   3HB   ALA  50          3HB       ALA  50   8.504   0.195 -16.883
  361    H    ARG  51           H        ARG  51   4.798   0.272 -15.781
  362    HA   ARG  51           HA       ARG  51   4.637   2.463 -17.692
  363   1HB   ARG  51          2HB       ARG  51   3.450   0.079 -17.736
  364   2HB   ARG  51          1HB       ARG  51   2.216   0.951 -16.824
  365   1HG   ARG  51          2HG       ARG  51   1.557   1.290 -19.057
  366   2HG   ARG  51          1HG       ARG  51   2.451   2.763 -18.680
  367   1HD   ARG  51          2HD       ARG  51   4.011   0.462 -19.750
  368   2HD   ARG  51          1HD       ARG  51   2.957   1.308 -20.877
  369    HE   ARG  51           HE       ARG  51   4.366   3.300 -19.586
  370   1HH1  ARG  51          2HH1      ARG  51   4.551   2.303 -22.553
  371   2HH1  ARG  51          1HH1      ARG  51   6.267   2.124 -22.705
  372   1HH2  ARG  51          1HH2      ARG  51   6.850   2.276 -19.289
  373   2HH2  ARG  51          2HH2      ARG  51   7.569   2.109 -20.857
  374    H    LEU  52           H        LEU  52   3.291   1.587 -14.532
  375    HA   LEU  52           HA       LEU  52   1.908   4.154 -14.336
  376   1HB   LEU  52          2HB       LEU  52   1.965   1.661 -12.655
  377   2HB   LEU  52          1HB       LEU  52   1.323   3.166 -12.004
  378    HG   LEU  52           HG       LEU  52  -0.469   1.779 -12.992
  379   1HD1  LEU  52          2HD1      LEU  52  -0.396   4.361 -13.126
  380   2HD1  LEU  52          1HD1      LEU  52  -0.028   4.126 -14.835
  381   3HD1  LEU  52          3HD1      LEU  52  -1.544   3.520 -14.167
  382   1HD2  LEU  52          1HD2      LEU  52   1.093   0.747 -14.731
  383   2HD2  LEU  52          3HD2      LEU  52  -0.507   1.204 -15.316
  384   3HD2  LEU  52          2HD2      LEU  52   0.886   2.230 -15.662
  385    H    GLU  53           H        GLU  53   5.008   3.638 -14.162
  386    HA   GLU  53           HA       GLU  53   5.726   4.432 -11.511
  387   1HB   GLU  53          2HB       GLU  53   7.101   3.811 -14.007
  388   2HB   GLU  53          1HB       GLU  53   7.829   5.195 -13.194
  389   1HG   GLU  53          2HG       GLU  53   7.127   2.787 -11.556
  390   2HG   GLU  53          1HG       GLU  53   8.566   2.723 -12.575
  391    H    SER  54           H        SER  54   5.365   6.132 -14.603
  392    HA   SER  54           HA       SER  54   5.954   8.707 -13.389
  393   1HB   SER  54          2HB       SER  54   5.468   9.599 -15.653
  394   2HB   SER  54          1HB       SER  54   6.679   8.322 -15.680
  395    HG   SER  54           HG       SER  54   4.833   8.236 -17.240
  396    H    ARG  55           H        ARG  55   3.161   6.803 -14.274
  397    HA   ARG  55           HA       ARG  55   1.190   8.795 -14.376
  398   1HB   ARG  55          2HB       ARG  55   0.892   6.356 -14.963
  399   2HB   ARG  55          1HB       ARG  55   0.806   6.022 -13.234
  400   1HG   ARG  55          2HG       ARG  55  -1.429   6.373 -13.537
  401   2HG   ARG  55          1HG       ARG  55  -0.975   8.074 -13.425
  402   1HD   ARG  55          2HD       ARG  55  -0.929   6.609 -16.060
  403   2HD   ARG  55          1HD       ARG  55  -2.406   7.349 -15.451
  404    HE   ARG  55           HE       ARG  55  -0.036   8.745 -16.423
  405   1HH1  ARG  55          2HH1      ARG  55  -0.234  10.610 -14.486
  406   2HH1  ARG  55          1HH1      ARG  55  -1.663  11.549 -14.760
  407   1HH2  ARG  55          1HH2      ARG  55  -3.110   9.215 -16.877
  408   2HH2  ARG  55          2HH2      ARG  55  -3.291  10.760 -16.114
  409    H    TYR  56           H        TYR  56   2.805   7.289 -11.658
  410    HA   TYR  56           HA       TYR  56   0.979   8.575  -9.754
  411   1HB   TYR  56          2HB       TYR  56   3.161   6.519  -9.495
  412   2HB   TYR  56          1HB       TYR  56   2.555   7.382  -8.079
  413    HD1  TYR  56           HD1      TYR  56   1.250   5.591 -11.111
  414    HD2  TYR  56           HD2      TYR  56   0.729   6.480  -6.939
  415    HE1  TYR  56           HE1      TYR  56  -0.720   4.086 -11.036
  416    HE2  TYR  56           HE2      TYR  56  -1.239   4.974  -6.865
  417    HH   TYR  56           HH       TYR  56  -2.979   4.112  -9.129
  418    H    GLY  57           H        GLY  57   4.511   8.342 -10.262
  419   1HA   GLY  57          2HA       GLY  57   5.754  10.469 -10.486
  420   2HA   GLY  57          1HA       GLY  57   4.731  11.101  -9.202
  421    H    VAL  58           H        VAL  58   5.033   8.245  -7.950
  422    HA   VAL  58           HA       VAL  58   6.973   8.917  -6.045
  423    HB   VAL  58           HB       VAL  58   5.191   7.279  -5.639
  424   1HG1  VAL  58          1HG1      VAL  58   6.647   5.767  -7.796
  425   2HG1  VAL  58          3HG1      VAL  58   5.714   4.901  -6.576
  426   3HG1  VAL  58          2HG1      VAL  58   4.919   6.072  -7.628
  427   1HG2  VAL  58          3HG2      VAL  58   7.344   7.218  -4.336
  428   2HG2  VAL  58          2HG2      VAL  58   6.499   5.672  -4.399
  429   3HG2  VAL  58          1HG2      VAL  58   7.903   5.951  -5.428
  430    H    SER  59           H        SER  59   8.993   7.818  -5.592
  431    HA   SER  59           HA       SER  59  10.395   6.822  -7.995
  432   1HB   SER  59          2HB       SER  59  12.366   8.127  -7.417
  433   2HB   SER  59          1HB       SER  59  10.988   9.208  -7.608
  434    HG   SER  59           HG       SER  59  12.489   8.622  -5.394
  435    H    ILE  60           H        ILE  60  10.951   4.798  -7.555
  436    HA   ILE  60           HA       ILE  60  12.236   4.218  -4.966
  437    HB   ILE  60           HB       ILE  60  11.025   2.025  -4.912
  438   1HG1  ILE  60          2HG1      ILE  60   8.927   3.144  -6.704
  439   2HG1  ILE  60          1HG1      ILE  60  10.382   2.524  -7.487
  440   1HG2  ILE  60          3HG2      ILE  60  10.317   4.268  -3.754
  441   2HG2  ILE  60          2HG2      ILE  60   8.995   4.244  -4.921
  442   3HG2  ILE  60          1HG2      ILE  60   9.184   2.916  -3.774
  443   1HD1  ILE  60          2HD1      ILE  60  10.111   0.397  -6.193
  444   2HD1  ILE  60          1HD1      ILE  60   8.581   1.017  -5.571
  445   3HD1  ILE  60          3HD1      ILE  60   8.772   0.713  -7.296
  446    HA   PRO  61           HA       PRO  61  15.076   2.012  -7.530
  447   1HB   PRO  61          2HB       PRO  61  16.055   0.162  -5.774
  448   2HB   PRO  61          1HB       PRO  61  16.459   1.884  -5.717
  449   1HG   PRO  61          2HG       PRO  61  14.682   0.310  -3.946
  450   2HG   PRO  61          1HG       PRO  61  15.594   1.786  -3.606
  451   1HD   PRO  61          2HD       PRO  61  12.820   1.620  -4.156
  452   2HD   PRO  61          1HD       PRO  61  13.795   3.106  -4.095
  453    H    ASP  62           H        ASP  62  15.889  -0.566  -7.623
  454    HA   ASP  62           HA       ASP  62  13.483  -1.967  -8.575
  455   1HB   ASP  62          2HB       ASP  62  16.305  -1.855  -9.404
  456   2HB   ASP  62          1HB       ASP  62  15.609  -3.474  -9.426
  457    H    ASP  63           H        ASP  63  15.489  -1.977  -5.868
  458    HA   ASP  63           HA       ASP  63  15.519  -4.843  -5.460
  459   1HB   ASP  63          2HB       ASP  63  17.299  -3.235  -4.609
  460   2HB   ASP  63          1HB       ASP  63  16.121  -2.723  -3.399
  461    H    VAL  64           H        VAL  64  13.806  -2.047  -4.084
  462    HA   VAL  64           HA       VAL  64  12.314  -3.575  -2.199
  463    HB   VAL  64           HB       VAL  64  12.686  -1.137  -1.974
  464   1HG1  VAL  64          3HG1      VAL  64  12.373  -0.608  -4.408
  465   2HG1  VAL  64          2HG1      VAL  64  10.641  -0.862  -4.192
  466   3HG1  VAL  64          1HG1      VAL  64  11.454   0.443  -3.331
  467   1HG2  VAL  64          3HG2      VAL  64  10.715  -2.406  -0.936
  468   2HG2  VAL  64          2HG2      VAL  64  10.544  -0.654  -1.049
  469   3HG2  VAL  64          1HG2      VAL  64   9.725  -1.697  -2.211
  470    H    ALA  65           H        ALA  65  11.564  -2.342  -5.443
  471    HA   ALA  65           HA       ALA  65   8.926  -3.547  -5.429
  472   1HB   ALA  65          1HB       ALA  65   9.319  -1.450  -6.657
  473   2HB   ALA  65          3HB       ALA  65  10.485  -2.274  -7.693
  474   3HB   ALA  65          2HB       ALA  65   8.782  -2.731  -7.745
  475    H    GLY  66           H        GLY  66  11.981  -4.066  -7.175
  476   1HA   GLY  66          2HA       GLY  66  11.192  -6.286  -8.692
  477   2HA   GLY  66          1HA       GLY  66  12.847  -5.926  -8.223
  478    H    ARG  67           H        ARG  67  11.960  -6.027  -5.308
  479    HA   ARG  67           HA       ARG  67  11.891  -8.978  -5.088
  480   1HB   ARG  67          2HB       ARG  67  13.991  -7.570  -4.339
  481   2HB   ARG  67          1HB       ARG  67  13.006  -7.251  -2.911
  482   1HG   ARG  67          2HG       ARG  67  14.171  -9.211  -2.328
  483   2HG   ARG  67          1HG       ARG  67  12.611  -9.820  -2.882
  484   1HD   ARG  67          2HD       ARG  67  13.526 -10.332  -5.070
  485   2HD   ARG  67          1HD       ARG  67  15.058  -9.576  -4.649
  486    HE   ARG  67           HE       ARG  67  14.198 -12.231  -3.924
  487   1HH1  ARG  67          1HH2      ARG  67  14.806 -11.050  -1.266
  488   2HH1  ARG  67          2HH2      ARG  67  16.512 -11.299  -1.108
  489   1HH2  ARG  67          2HH1      ARG  67  17.007 -11.898  -4.486
  490   2HH2  ARG  67          1HH1      ARG  67  17.758 -11.779  -2.930
  491    H    VAL  68           H        VAL  68   9.481  -7.679  -5.277
  492    HA   VAL  68           HA       VAL  68   8.524  -7.351  -2.517
  493    HB   VAL  68           HB       VAL  68   7.893  -5.611  -4.179
  494   1HG1  VAL  68          3HG1      VAL  68   7.695  -7.332  -6.091
  495   2HG1  VAL  68          2HG1      VAL  68   6.094  -7.684  -5.443
  496   3HG1  VAL  68          1HG1      VAL  68   6.472  -6.063  -6.022
  497   1HG2  VAL  68          2HG2      VAL  68   6.463  -6.211  -2.190
  498   2HG2  VAL  68          1HG2      VAL  68   5.568  -5.495  -3.531
  499   3HG2  VAL  68          3HG2      VAL  68   5.507  -7.237  -3.259
  500    H    ASP  69           H        ASP  69   7.882  -9.132  -1.528
  501    HA   ASP  69           HA       ASP  69   6.633 -11.278  -3.128
  502   1HB   ASP  69          2HB       ASP  69   8.125 -11.301  -0.511
  503   2HB   ASP  69          1HB       ASP  69   7.103 -12.650  -1.007
  504    H    THR  70           H        THR  70   5.447  -8.720  -1.769
  505    HA   THR  70           HA       THR  70   3.141 -10.144  -0.642
  506    HB   THR  70           HB       THR  70   3.133  -8.017   0.995
  507    HG1  THR  70           HG1      THR  70   5.274  -7.656   1.664
  508   1HG2  THR  70          2HG2      THR  70   3.005 -10.410   1.634
  509   2HG2  THR  70          1HG2      THR  70   4.757 -10.532   1.468
  510   3HG2  THR  70          3HG2      THR  70   4.060  -9.497   2.713
  511    HA   PRO  71           HA       PRO  71   1.083  -7.132  -3.180
  512   1HB   PRO  71          2HB       PRO  71  -1.468  -7.487  -2.278
  513   2HB   PRO  71          1HB       PRO  71  -0.632  -8.634  -3.332
  514   1HG   PRO  71          2HG       PRO  71  -1.264  -8.854  -0.449
  515   2HG   PRO  71          1HG       PRO  71  -1.015 -10.131  -1.647
  516   1HD   PRO  71          2HD       PRO  71   0.855  -9.242   0.297
  517   2HD   PRO  71          1HD       PRO  71   1.178 -10.345  -1.061
  518    H    ARG  72           H        ARG  72  -0.046  -7.135   0.212
  519    HA   ARG  72           HA       ARG  72  -1.006  -4.491   0.274
  520   1HB   ARG  72          2HB       ARG  72  -1.387  -6.294   2.017
  521   2HB   ARG  72          1HB       ARG  72   0.231  -5.935   2.621
  522   1HG   ARG  72          2HG       ARG  72  -0.842  -4.400   3.916
  523   2HG   ARG  72          1HG       ARG  72  -0.827  -3.418   2.451
  524   1HD   ARG  72          2HD       ARG  72  -3.092  -3.557   3.462
  525   2HD   ARG  72          1HD       ARG  72  -3.044  -4.234   1.839
  526    HE   ARG  72           HE       ARG  72  -3.743  -6.216   2.794
  527   1HH1  ARG  72          1HH2      ARG  72  -1.332  -7.057   4.158
  528   2HH1  ARG  72          2HH2      ARG  72  -1.753  -7.040   5.838
  529   1HH2  ARG  72          2HH1      ARG  72  -4.550  -5.041   5.389
  530   2HH2  ARG  72          1HH1      ARG  72  -3.575  -5.899   6.535
  531    H    GLU  73           H        GLU  73   2.237  -5.734   0.348
  532    HA   GLU  73           HA       GLU  73   3.567  -3.656   1.686
  533   1HB   GLU  73          2HB       GLU  73   4.560  -5.868   0.972
  534   2HB   GLU  73          1HB       GLU  73   4.675  -5.204  -0.659
  535   1HG   GLU  73          2HG       GLU  73   5.777  -3.596   1.613
  536   2HG   GLU  73          1HG       GLU  73   6.704  -4.980   1.035
  537    H    LEU  74           H        LEU  74   3.395  -4.131  -1.856
  538    HA   LEU  74           HA       LEU  74   4.448  -1.685  -2.609
  539   1HB   LEU  74          2HB       LEU  74   3.210  -1.963  -4.756
  540   2HB   LEU  74          1HB       LEU  74   4.118  -3.391  -4.270
  541    HG   LEU  74           HG       LEU  74   1.353  -3.335  -3.251
  542   1HD1  LEU  74          2HD1      LEU  74   1.954  -3.326  -6.213
  543   2HD1  LEU  74          1HD1      LEU  74   0.504  -4.086  -5.557
  544   3HD1  LEU  74          3HD1      LEU  74   0.767  -2.355  -5.342
  545   1HD2  LEU  74          1HD2      LEU  74   3.234  -5.273  -4.587
  546   2HD2  LEU  74          3HD2      LEU  74   2.485  -5.386  -2.996
  547   3HD2  LEU  74          2HD2      LEU  74   1.521  -5.659  -4.441
  548    H    LEU  75           H        LEU  75   1.198  -2.418  -1.533
  549    HA   LEU  75           HA       LEU  75  -0.124  -0.076  -2.385
  550   1HB   LEU  75          2HB       LEU  75  -1.360  -1.970  -1.465
  551   2HB   LEU  75          1HB       LEU  75  -0.578  -1.765   0.094
  552    HG   LEU  75           HG       LEU  75  -1.598   0.609   0.097
  553   1HD1  LEU  75          2HD1      LEU  75  -2.246   0.102  -2.465
  554   2HD1  LEU  75          1HD1      LEU  75  -3.721  -0.471  -1.686
  555   3HD1  LEU  75          3HD1      LEU  75  -3.186   1.193  -1.448
  556   1HD2  LEU  75          2HD2      LEU  75  -2.401  -1.633   1.250
  557   2HD2  LEU  75          1HD2      LEU  75  -3.422  -0.195   1.284
  558   3HD2  LEU  75          3HD2      LEU  75  -3.745  -1.478   0.119
  559    H    ASP  76           H        ASP  76   1.341  -0.803   0.790
  560    HA   ASP  76           HA       ASP  76   1.067   1.774   1.874
  561   1HB   ASP  76          2HB       ASP  76   1.827  -0.522   2.950
  562   2HB   ASP  76          1HB       ASP  76   3.438   0.113   2.610
  563    H    LEU  77           H        LEU  77   3.398   0.472  -0.369
  564    HA   LEU  77           HA       LEU  77   5.500   2.310  -0.017
  565   1HB   LEU  77          2HB       LEU  77   5.586   0.214  -1.409
  566   2HB   LEU  77          1HB       LEU  77   4.649   1.065  -2.637
  567    HG   LEU  77           HG       LEU  77   6.763   2.819  -1.934
  568   1HD1  LEU  77          2HD1      LEU  77   7.637   0.415  -1.097
  569   2HD1  LEU  77          1HD1      LEU  77   8.070   0.287  -2.802
  570   3HD1  LEU  77          3HD1      LEU  77   8.711   1.608  -1.826
  571   1HD2  LEU  77          3HD2      LEU  77   5.555   2.207  -4.181
  572   2HD2  LEU  77          2HD2      LEU  77   7.236   2.734  -4.228
  573   3HD2  LEU  77          1HD2      LEU  77   6.847   1.018  -4.345
  574    H    ILE  78           H        ILE  78   3.086   2.320  -2.644
  575    HA   ILE  78           HA       ILE  78   3.622   4.915  -3.569
  576    HB   ILE  78           HB       ILE  78   0.997   3.404  -3.664
  577   1HG1  ILE  78          2HG1      ILE  78   2.867   2.100  -4.606
  578   2HG1  ILE  78          1HG1      ILE  78   1.784   2.647  -5.884
  579   1HG2  ILE  78          1HG2      ILE  78   0.862   5.845  -4.200
  580   2HG2  ILE  78          3HG2      ILE  78   2.047   5.589  -5.481
  581   3HG2  ILE  78          2HG2      ILE  78   0.469   4.808  -5.572
  582   1HD1  ILE  78          3HD1      ILE  78   3.344   4.621  -6.221
  583   2HD1  ILE  78          2HD1      ILE  78   4.472   3.824  -5.124
  584   3HD1  ILE  78          1HD1      ILE  78   4.031   3.053  -6.648
  585    H    ASN  79           H        ASN  79   1.528   3.753  -1.035
  586    HA   ASN  79           HA       ASN  79  -0.112   5.909  -0.507
  587   1HB   ASN  79          2HB       ASN  79   0.370   3.511   0.704
  588   2HB   ASN  79          1HB       ASN  79   1.036   4.625   1.895
  589   1HD2  ASN  79          2HD2      ASN  79  -2.867   4.125   1.892
  590   2HD2  ASN  79          1HD2      ASN  79  -1.724   3.007   1.323
  591    H    GLY  80           H        GLY  80   3.065   5.273   0.989
  592   1HA   GLY  80          2HA       GLY  80   3.197   7.776   2.343
  593   2HA   GLY  80          1HA       GLY  80   4.541   6.670   2.082
  594    H    ALA  81           H        ALA  81   4.147   6.682  -0.845
  595    HA   ALA  81           HA       ALA  81   5.939   8.749  -1.523
  596   1HB   ALA  81          3HB       ALA  81   5.543   6.630  -2.835
  597   2HB   ALA  81          2HB       ALA  81   4.049   7.356  -3.427
  598   3HB   ALA  81          1HB       ALA  81   5.601   8.100  -3.808
  599    H    LEU  82           H        LEU  82   2.440   8.606  -1.453
  600    HA   LEU  82           HA       LEU  82   2.056  11.034  -2.961
  601   1HB   LEU  82          2HB       LEU  82   0.143   9.527  -1.161
  602   2HB   LEU  82          1HB       LEU  82  -0.296  10.833  -2.263
  603    HG   LEU  82           HG       LEU  82   1.124   8.345  -3.224
  604   1HD1  LEU  82          3HD1      LEU  82  -1.119   7.887  -2.056
  605   2HD1  LEU  82          2HD1      LEU  82  -1.860   8.806  -3.366
  606   3HD1  LEU  82          1HD1      LEU  82  -0.968   7.326  -3.722
  607   1HD2  LEU  82          3HD2      LEU  82   0.859  10.644  -4.508
  608   2HD2  LEU  82          2HD2      LEU  82   0.609   9.120  -5.360
  609   3HD2  LEU  82          1HD2      LEU  82  -0.778  10.053  -4.797
  610    H    ALA  83           H        ALA  83   2.449  10.161   0.403
  611    HA   ALA  83           HA       ALA  83   1.502  12.627   1.499
  612   1HB   ALA  83          2HB       ALA  83   3.122  10.333   2.564
  613   2HB   ALA  83          1HB       ALA  83   2.941  11.811   3.507
  614   3HB   ALA  83          3HB       ALA  83   1.517  10.877   3.050
  615    H    GLU  84           H        GLU  84   4.587  11.462   0.315
  616    HA   GLU  84           HA       GLU  84   6.089  13.692   1.376
  617   1HB   GLU  84          2HB       GLU  84   7.947  12.780   0.001
  618   2HB   GLU  84          1HB       GLU  84   7.227  11.565   1.056
  619   1HG   GLU  84          2HG       GLU  84   6.015  10.576  -0.749
  620   2HG   GLU  84          1HG       GLU  84   6.365  11.934  -1.819
  621    H    ALA  85           H        ALA  85   4.431  12.899  -1.599
  622    HA   ALA  85           HA       ALA  85   5.642  14.858  -3.261
  623   1HB   ALA  85          3HB       ALA  85   4.106  12.851  -3.901
  624   2HB   ALA  85          2HB       ALA  85   2.788  13.983  -3.599
  625   3HB   ALA  85          1HB       ALA  85   3.994  14.343  -4.834
  626    H    ALA  86           HN       ALA  86   2.899  14.902  -1.054
  627    HA   ALA  86           HA       ALA  86   2.288  17.684  -1.745
  628   1HB   ALA  86          3HB       ALA  86   0.568  15.757  -1.208
  629   2HB   ALA  86          2HB       ALA  86   0.908  16.207   0.462
  630   3HB   ALA  86          1HB       ALA  86   0.262  17.405  -0.660
   
  No H/Q in entry =         630
  Start of MODEL   22
    1   1H    MET   1          2H        MET   1  -4.014  16.066   4.874
    2   2H    MET   1          1H        MET   1  -4.317  15.625   6.487
    3   3H    MET   1          3H        MET   1  -2.765  16.130   6.026
    4    HA   MET   1           HA       MET   1  -2.293  14.182   4.904
    5   1HB   MET   1          2HB       MET   1  -2.501  13.894   7.394
    6   2HB   MET   1          1HB       MET   1  -4.146  13.311   7.140
    7   1HG   MET   1          2HG       MET   1  -3.306  11.482   5.737
    8   2HG   MET   1          1HG       MET   1  -1.657  12.077   5.924
    9   1HE   MET   1          3HE       MET   1  -3.511   9.315   6.680
   10   2HE   MET   1          2HE       MET   1  -3.791   9.124   8.409
   11   3HE   MET   1          1HE       MET   1  -4.702  10.331   7.505
   12    H    ALA   2           H        ALA   2  -3.321  14.230   2.874
   13    HA   ALA   2           HA       ALA   2  -5.994  12.990   2.717
   14   1HB   ALA   2          3HB       ALA   2  -4.395  14.510   0.643
   15   2HB   ALA   2          2HB       ALA   2  -5.984  13.798   0.368
   16   3HB   ALA   2          1HB       ALA   2  -5.796  15.109   1.531
   17    H    THR   3           H        THR   3  -6.367  11.162   1.499
   18    HA   THR   3           HA       THR   3  -3.961   9.587   0.844
   19    HB   THR   3           HB       THR   3  -6.808   8.605   1.122
   20    HG1  THR   3           HG1      THR   3  -6.485   8.600   3.183
   21   1HG2  THR   3          1HG2      THR   3  -4.891   7.323  -0.144
   22   2HG2  THR   3          3HG2      THR   3  -4.308   6.986   1.487
   23   3HG2  THR   3          2HG2      THR   3  -5.918   6.456   0.998
   24    H    LEU   4           H        LEU   4  -3.425   9.271  -1.204
   25    HA   LEU   4           HA       LEU   4  -5.272  10.079  -3.322
   26   1HB   LEU   4          2HB       LEU   4  -2.337   9.476  -3.176
   27   2HB   LEU   4          1HB       LEU   4  -3.156   9.387  -4.733
   28    HG   LEU   4           HG       LEU   4  -2.183  11.628  -4.354
   29   1HD1  LEU   4          3HD1      LEU   4  -4.593  11.094  -5.405
   30   2HD1  LEU   4          2HD1      LEU   4  -5.107  12.128  -4.072
   31   3HD1  LEU   4          1HD1      LEU   4  -3.970  12.739  -5.275
   32   1HD2  LEU   4          2HD2      LEU   4  -2.356  11.625  -1.878
   33   2HD2  LEU   4          1HD2      LEU   4  -3.081  13.072  -2.577
   34   3HD2  LEU   4          3HD2      LEU   4  -4.109  11.756  -2.010
   35    H    LEU   5           H        LEU   5  -3.099   7.297  -2.806
   36    HA   LEU   5           HA       LEU   5  -4.845   5.638  -4.469
   37   1HB   LEU   5          2HB       LEU   5  -2.055   5.714  -3.991
   38   2HB   LEU   5          1HB       LEU   5  -2.624   4.194  -3.305
   39    HG   LEU   5           HG       LEU   5  -3.771   3.679  -5.452
   40   1HD1  LEU   5          3HD1      LEU   5  -3.715   6.316  -5.970
   41   2HD1  LEU   5          2HD1      LEU   5  -2.250   5.844  -6.828
   42   3HD1  LEU   5          1HD1      LEU   5  -3.796   5.111  -7.256
   43   1HD2  LEU   5          3HD2      LEU   5  -1.167   3.335  -4.851
   44   2HD2  LEU   5          2HD2      LEU   5  -1.857   2.809  -6.387
   45   3HD2  LEU   5          1HD2      LEU   5  -0.988   4.341  -6.290
   46    H    THR   6           H        THR   6  -5.837   3.748  -3.738
   47    HA   THR   6           HA       THR   6  -5.905   3.376  -0.805
   48    HB   THR   6           HB       THR   6  -7.934   4.551  -1.331
   49    HG1  THR   6           HG1      THR   6  -9.360   3.064  -0.600
   50   1HG2  THR   6          1HG2      THR   6  -7.788   2.928  -3.770
   51   2HG2  THR   6          3HG2      THR   6  -9.405   2.982  -3.068
   52   3HG2  THR   6          2HG2      THR   6  -8.579   4.479  -3.497
   53    H    THR   7           H        THR   7  -6.938   1.247  -0.215
   54    HA   THR   7           HA       THR   7  -5.533  -0.899  -1.353
   55    HB   THR   7           HB       THR   7  -8.114  -0.995   0.235
   56    HG1  THR   7           HG1      THR   7  -5.424  -1.185   1.103
   57   1HG2  THR   7          3HG2      THR   7  -5.997  -3.046  -0.424
   58   2HG2  THR   7          2HG2      THR   7  -7.114  -3.240   0.928
   59   3HG2  THR   7          1HG2      THR   7  -7.732  -3.141  -0.721
   60    H    ASP   8           H        ASP   8  -8.768   0.358  -1.951
   61    HA   ASP   8           HA       ASP   8  -9.804  -1.688  -3.564
   62   1HB   ASP   8          2HB       ASP   8 -10.267   1.300  -3.753
   63   2HB   ASP   8          1HB       ASP   8 -11.251   0.073  -4.550
   64    H    ASP   9           H        ASP   9  -7.677   1.012  -4.308
   65    HA   ASP   9           HA       ASP   9  -7.661   0.676  -7.138
   66   1HB   ASP   9          2HB       ASP   9  -6.772   2.657  -5.612
   67   2HB   ASP   9          1HB       ASP   9  -5.265   1.746  -5.703
   68    H    LEU  10           H        LEU  10  -5.821  -0.666  -4.464
   69    HA   LEU  10           HA       LEU  10  -3.683  -1.867  -5.797
   70   1HB   LEU  10          2HB       LEU  10  -4.407  -1.805  -3.234
   71   2HB   LEU  10          1HB       LEU  10  -5.061  -3.392  -3.628
   72    HG   LEU  10           HG       LEU  10  -2.184  -2.496  -4.012
   73   1HD1  LEU  10          2HD1      LEU  10  -3.022  -3.026  -1.664
   74   2HD1  LEU  10          1HD1      LEU  10  -3.308  -4.673  -2.232
   75   3HD1  LEU  10          3HD1      LEU  10  -1.672  -4.012  -2.225
   76   1HD2  LEU  10          2HD2      LEU  10  -3.667  -5.019  -4.772
   77   2HD2  LEU  10          1HD2      LEU  10  -2.599  -4.035  -5.772
   78   3HD2  LEU  10          3HD2      LEU  10  -1.927  -5.032  -4.482
   79    H    ARG  11           H        ARG  11  -6.785  -3.385  -4.910
   80    HA   ARG  11           HA       ARG  11  -6.394  -5.808  -6.254
   81   1HB   ARG  11          2HB       ARG  11  -8.354  -4.809  -4.650
   82   2HB   ARG  11          1HB       ARG  11  -9.174  -4.800  -6.211
   83   1HG   ARG  11          2HG       ARG  11  -8.375  -7.202  -6.506
   84   2HG   ARG  11          1HG       ARG  11  -7.899  -7.159  -4.808
   85   1HD   ARG  11          2HD       ARG  11 -10.149  -6.779  -4.091
   86   2HD   ARG  11          1HD       ARG  11 -10.688  -6.453  -5.735
   87    HE   ARG  11           HE       ARG  11  -9.694  -9.136  -4.977
   88   1HH1  ARG  11          1HH2      ARG  11 -12.570  -7.419  -5.068
   89   2HH1  ARG  11          2HH2      ARG  11 -13.404  -8.497  -6.135
   90   1HH2  ARG  11          2HH1      ARG  11 -10.583 -10.373  -6.875
   91   2HH2  ARG  11          1HH1      ARG  11 -12.279 -10.170  -7.158
   92    H    ARG  12           H        ARG  12  -8.095  -2.883  -7.352
   93    HA   ARG  12           HA       ARG  12  -8.866  -3.828  -9.878
   94   1HB   ARG  12          2HB       ARG  12  -9.313  -1.536  -8.529
   95   2HB   ARG  12          1HB       ARG  12  -8.107  -0.967  -9.683
   96   1HG   ARG  12          2HG       ARG  12  -9.623  -2.343 -11.393
   97   2HG   ARG  12          1HG       ARG  12 -10.862  -2.015 -10.180
   98   1HD   ARG  12          2HD       ARG  12 -10.988  -0.165 -11.644
   99   2HD   ARG  12          1HD       ARG  12 -10.056   0.428 -10.275
  100    HE   ARG  12           HE       ARG  12  -8.033  -0.135 -11.739
  101   1HH1  ARG  12          1HH2      ARG  12  -9.375  -1.090 -14.165
  102   2HH1  ARG  12          2HH2      ARG  12  -9.554   0.338 -15.129
  103   1HH2  ARG  12          2HH1      ARG  12  -9.033   2.512 -12.476
  104   2HH2  ARG  12          1HH1      ARG  12  -9.362   2.378 -14.172
  105    H    ALA  13           H        ALA  13  -5.743  -2.848  -8.734
  106    HA   ALA  13           HA       ALA  13  -4.679  -2.318 -11.383
  107   1HB   ALA  13          1HB       ALA  13  -3.308  -2.574  -8.698
  108   2HB   ALA  13          3HB       ALA  13  -2.511  -2.096 -10.197
  109   3HB   ALA  13          2HB       ALA  13  -3.767  -1.073  -9.501
  110    H    LEU  14           H        LEU  14  -4.657  -4.939  -9.029
  111    HA   LEU  14           HA       LEU  14  -2.732  -6.517 -10.485
  112   1HB   LEU  14          2HB       LEU  14  -4.433  -6.928  -8.063
  113   2HB   LEU  14          1HB       LEU  14  -3.758  -8.342  -8.874
  114    HG   LEU  14           HG       LEU  14  -1.906  -6.058  -8.404
  115   1HD1  LEU  14          3HD1      LEU  14  -3.457  -6.690  -6.290
  116   2HD1  LEU  14          2HD1      LEU  14  -2.233  -7.951  -6.131
  117   3HD1  LEU  14          1HD1      LEU  14  -1.756  -6.254  -6.124
  118   1HD2  LEU  14          3HD2      LEU  14  -1.854  -9.024  -8.668
  119   2HD2  LEU  14          2HD2      LEU  14  -0.738  -7.819  -9.310
  120   3HD2  LEU  14          1HD2      LEU  14  -0.631  -8.306  -7.619
  121    H    VAL  15           H        VAL  15  -6.151  -6.037 -10.659
  122    HA   VAL  15           HA       VAL  15  -6.623  -8.564 -12.043
  123    HB   VAL  15           HB       VAL  15  -8.544  -6.275 -11.554
  124   1HG1  VAL  15          3HG1      VAL  15  -9.137  -7.912 -13.356
  125   2HG1  VAL  15          2HG1      VAL  15  -9.034  -9.207 -12.163
  126   3HG1  VAL  15          1HG1      VAL  15 -10.259  -7.949 -11.995
  127   1HG2  VAL  15          2HG2      VAL  15  -7.420  -7.505  -9.517
  128   2HG2  VAL  15          1HG2      VAL  15  -9.168  -7.275  -9.531
  129   3HG2  VAL  15          3HG2      VAL  15  -8.481  -8.837  -9.977
  130    H    GLU  16           H        GLU  16  -6.218  -5.153 -12.714
  131    HA   GLU  16           HA       GLU  16  -7.253  -5.025 -15.314
  132   1HB   GLU  16          2HB       GLU  16  -6.190  -3.189 -13.693
  133   2HB   GLU  16          1HB       GLU  16  -4.778  -3.488 -14.707
  134   1HG   GLU  16          2HG       GLU  16  -7.457  -3.068 -15.999
  135   2HG   GLU  16          1HG       GLU  16  -6.537  -1.672 -15.435
  136    H    CYS  17           H        CYS  17  -4.318  -6.465 -14.119
  137    HA   CYS  17           HA       CYS  17  -2.713  -6.443 -16.408
  138   1HB   CYS  17          2HB       CYS  17  -2.958  -8.667 -14.369
  139   2HB   CYS  17          1HB       CYS  17  -1.604  -8.405 -15.468
  140    HG   CYS  17           HG       CYS  17  -0.739  -7.045 -13.561
  141    H    ALA  18           H        ALA  18  -5.303  -8.662 -15.453
  142    HA   ALA  18           HA       ALA  18  -5.146  -9.893 -18.141
  143   1HB   ALA  18          1HB       ALA  18  -6.247 -11.057 -15.571
  144   2HB   ALA  18          3HB       ALA  18  -6.274 -11.854 -17.144
  145   3HB   ALA  18          2HB       ALA  18  -4.734 -11.516 -16.354
  146    H    GLY  19           H        GLY  19  -7.593  -9.517 -15.573
  147   1HA   GLY  19          2HA       GLY  19  -9.353  -7.757 -16.605
  148   2HA   GLY  19          1HA       GLY  19  -9.694  -9.199 -17.558
  149    H    GLU  20           H        GLU  20 -11.838  -8.991 -16.530
  150    HA   GLU  20           HA       GLU  20 -12.271  -9.295 -13.764
  151   1HB   GLU  20          2HB       GLU  20 -13.912  -8.841 -15.851
  152   2HB   GLU  20          1HB       GLU  20 -14.220 -10.561 -15.613
  153   1HG   GLU  20          2HG       GLU  20 -15.787  -9.526 -14.187
  154   2HG   GLU  20          1HG       GLU  20 -14.464  -9.951 -13.101
  155    H    THR  21           H        THR  21 -12.657 -11.079 -12.477
  156    HA   THR  21           HA       THR  21 -12.838 -13.747 -13.334
  157    HB   THR  21           HB       THR  21 -10.555 -13.586 -14.101
  158    HG1  THR  21           HG1      THR  21 -10.850 -15.498 -13.115
  159   1HG2  THR  21          3HG2      THR  21 -10.051 -11.557 -12.652
  160   2HG2  THR  21          2HG2      THR  21  -9.780 -12.683 -11.321
  161   3HG2  THR  21          1HG2      THR  21  -8.758 -12.753 -12.757
  162    H    ASP  22           H        ASP  22 -13.878 -14.650 -11.710
  163    HA   ASP  22           HA       ASP  22 -13.492 -13.610  -8.987
  164   1HB   ASP  22          2HB       ASP  22 -15.803 -13.974 -10.185
  165   2HB   ASP  22          1HB       ASP  22 -15.565 -15.652  -9.697
  166    H    GLY  23           H        GLY  23 -11.524 -15.366 -10.282
  167   1HA   GLY  23          2HA       GLY  23 -11.761 -17.761  -8.555
  168   2HA   GLY  23          1HA       GLY  23 -10.870 -17.721 -10.075
  169    H    THR  24           H        THR  24 -10.954 -16.329  -6.814
  170    HA   THR  24           HA       THR  24  -8.018 -16.138  -6.887
  171    HB   THR  24           HB       THR  24  -9.456 -14.241  -5.126
  172    HG1  THR  24           HG1      THR  24  -9.478 -13.993  -7.949
  173   1HG2  THR  24          1HG2      THR  24  -6.898 -14.514  -5.825
  174   2HG2  THR  24          3HG2      THR  24  -7.404 -13.475  -7.157
  175   3HG2  THR  24          2HG2      THR  24  -7.592 -12.927  -5.490
  176    H    ASP  25           H        ASP  25  -7.735 -15.377  -4.238
  177    HA   ASP  25           HA       ASP  25  -9.128 -17.323  -2.572
  178   1HB   ASP  25          2HB       ASP  25  -6.212 -17.466  -3.266
  179   2HB   ASP  25          1HB       ASP  25  -6.745 -17.958  -1.658
  180    H    LEU  26           H        LEU  26  -9.795 -14.984  -2.123
  181    HA   LEU  26           HA       LEU  26  -7.911 -13.663  -0.281
  182   1HB   LEU  26          2HB       LEU  26 -10.496 -12.453  -1.244
  183   2HB   LEU  26          1HB       LEU  26  -9.051 -11.639  -0.654
  184    HG   LEU  26           HG       LEU  26  -9.302 -13.152  -3.276
  185   1HD1  LEU  26          1HD1      LEU  26  -9.672 -10.344  -2.493
  186   2HD1  LEU  26          3HD1      LEU  26  -8.529 -10.549  -3.818
  187   3HD1  LEU  26          2HD1      LEU  26 -10.170 -11.175  -3.963
  188   1HD2  LEU  26          2HD2      LEU  26  -6.977 -12.090  -1.746
  189   2HD2  LEU  26          1HD2      LEU  26  -7.056 -13.441  -2.877
  190   3HD2  LEU  26          3HD2      LEU  26  -6.979 -11.787  -3.483
  191    H    SER  27           H        SER  27  -8.202 -14.845   1.570
  192    HA   SER  27           HA       SER  27 -10.908 -14.727   2.768
  193   1HB   SER  27          2HB       SER  27  -8.838 -16.717   3.639
  194   2HB   SER  27          1HB       SER  27 -10.591 -16.797   3.791